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4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine

2D structure
Flow Object IDfo-bac2e18a65dbd8be
TypeConsensus
prefLabel
Label Language
4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine en
Alt Labels
Label Language Provenance
Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro- en —
CAS Numbers 213265-81-7
EC Numbers 606-738-5
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow17db01d4-4657-40f8-9452-cb2ab2cbb453

Properties

Predicate Value
InChIKey QUPCVYNKLSILKS-UHFFFAOYSA-N, RGBIKVOIODUDLX-UHFFFAOYSA-N
InChI InChI=1S/C10H5Cl2FN2O/c11-6-3-1-2-4-7(6)16-10-8(13)9(12)14-5-15-10/h1-5H, InChI=1S/C11H7Cl2FN2/c12-8-4-2-1-3-7(8)5-9-10(14)11(13)16-6-15-9/h1-4,6H,5H2
IUPAC name 4-chloranyl-6-(2-chloranylphenoxy)-5-fluoranyl-pyrimidine, 4-chloranyl-6-[(2-chlorophenyl)methyl]-5-fluoranyl-pyrimidine, 4-chloro-6-(2-chlorobenzyl)-5-fluoro-pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine, 4-chloro-6-[(2-chlorophenyl)methyl]-5-fluoro-pyrimidine, 4-chloro-6-[(2-chlorophenyl)methyl]-5-fluoropyrimidine
Molecular formula C10H5Cl2FN2O, C11H7Cl2FN2
Molecular mass 257.095
Monoisotopic mass 255.997032
SMILES C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl, C1=CC=C(C(=C1)OC2=C(C(=NC=N2)Cl)F)Cl, Fc1c(Cl)ncnc1Cc1ccccc1Cl

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
355133b7… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
f468e28a… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
f4556f28… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
5fd2e2e9… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
c17cba77… EF 3.1 kg Environmental → Air → Unknown 2 2
e103f68e… EF 3.1 kg Environmental → Air → Unknown 2 2
836bab86… EF 3.1 kg Environmental → Ground → Agricultural 2 2
cb0b8cee… EF 3.1 kg Environmental → Ground → Unknown 2 2
17db01d4… EF 3.1 kg Environmental → Water → Ocean 2 2
f919ac97… EF 3.1 kg Environmental → Water → Surface water 2 2
2fb70c35… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
17db01d4… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
17db01d4… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
2fb70c35… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
2fb70c35… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
355133b7… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
355133b7… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
5fd2e2e9… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
5fd2e2e9… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
836bab86… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
836bab86… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
a7b7df4b… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
a7b7df4b… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
c17cba77… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
c17cba77… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
cb0b8cee… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
cb0b8cee… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
cdd43296… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
cdd43296… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
e103f68e… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
e103f68e… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
f4556f28… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
f4556f28… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
f468e28a… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
f468e28a… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}
f919ac97… altLabel — [{"@value":"Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:213265-81-7","https://commonchemistry.cas.org/detail?cas_rn=213265-81-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; cas=213265-81-7; added Common Chemistry CAS names as altLabel: Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-; object_uuid=fo-bac2e18a65dbd8be
f919ac97… cas_match_labels — {"213265-81-7":"exactMatch"} group_key=4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'213265-81-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bac2e18a65dbd8be: {'213265-81-7': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-bac2e18a65dbd8be",
  "prefLabel": [
    {
      "@value": "4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Pyrimidine, 4-chloro-6-(2-chlorophenoxy)-5-fluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H5Cl2FN2O",
        "C11H7Cl2FN2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11230678",
            "CID:165364822"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QUPCVYNKLSILKS-UHFFFAOYSA-N",
        "RGBIKVOIODUDLX-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11230678",
            "CID:165364822"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl",
        "C1=CC=C(C(=C1)OC2=C(C(=NC=N2)Cl)F)Cl",
        "Fc1c(Cl)ncnc1Cc1ccccc1Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11230678",
            "CID:165364822"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H5Cl2FN2O/c11-6-3-1-2-4-7(6)16-10-8(13)9(12)14-5-15-10/h1-5H",
        "InChI=1S/C11H7Cl2FN2/c12-8-4-2-1-3-7(8)5-9-10(14)11(13)16-6-15-9/h1-4,6H,5H2"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11230678",
            "CID:165364822"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-chloranyl-6-(2-chloranylphenoxy)-5-fluoranyl-pyrimidine",
        "4-chloranyl-6-[(2-chlorophenyl)methyl]-5-fluoranyl-pyrimidine",
        "4-chloro-6-(2-chlorobenzyl)-5-fluoro-pyrimidine",
        "4-chloro-6-(2-chlorophenoxy)-5-fluoro-pyrimidine",
        "4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine",
        "4-chloro-6-[(2-chlorophenyl)methyl]-5-fluoro-pyrimidine",
        "4-chloro-6-[(2-chlorophenyl)methyl]-5-fluoropyrimidine"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11230678",
          "CID:165364822"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "257.095"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C(=C1)CC2=C(C(=NC=N2)Cl)F)Cl"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
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