2,3-dibromo-1,1,1-trifluoropropane

Flow Object ID fo-6875e1fa05db9e7e

Type Consensus

prefLabel

Label	Language
`2,3-dibromo-1,1,1-trifluoropropane`	en

Alt Labels

Label	Language	Provenance
`1,2-Dibromo-3,3,3-trifluoropropane`	en	—
`Propane, 2,3-dibromo-1,1,1-trifluoro-`	en	—

CAS Numbers 431-21-0

Changes Applied 24

Properties

Predicate	Value
InChIKey	`QLFNALFIHRMXPX-UHFFFAOYSA-N, XFOCTDPLVDZSGA-UHFFFAOYSA-N`
InChI	`InChI=1S/C3H3Br2F3/c1-2(4,5)3(6,7)8/h1H3, InChI=1S/C3H3Br2F3/c4-1-2(5)3(6,7)8/h2H,1H2`
IUPAC name	`2,2-bis(bromanyl)-1,1,1-tris(fluoranyl)propane, 2,2-dibromo-1,1,1-trifluoro-propane, 2,2-dibromo-1,1,1-trifluoropropane, 2,3-bis(bromanyl)-1,1,1-tris(fluoranyl)propane, 2,3-dibromo-1,1,1-trifluoro-propane, 2,3-dibromo-1,1,1-trifluoropropane`
Molecular formula	`C3H3Br2F3`
SMILES	`C(C(C(F)(F)F)Br)Br, CC(C(F)(F)F)(Br)Br`

References

Linked Elementary Flows

UUID	Source	Unit	Context	Consensus Changes
`0d797790…`	EF 3.1	kg	Environmental → Air → Aircraft cruise height	2
`4d9a8790…`	EF 3.1	kg	Environmental → Air → Ground level → Rural (<1000 people/square mile)	2
`4d9a8790…`	EF 3.1	kg	Environmental → Air → Ground level → Urban (>1000 people/square mile)	2
`4d9a8790…`	EF 3.1	kg	Environmental → Air → High stack, >150 meters	2
`4d9a8790…`	EF 3.1	kg	Environmental → Air → Unknown	2
`0d79778e…`	EF 3.1	kg	Environmental → Ground → Agricultural	2
`0d797791…`	EF 3.1	kg	Environmental → Ground → Unknown	2
`0d797792…`	EF 3.1	kg	Environmental → Water → Ocean	2
`0d79778f…`	EF 3.1	kg	Environmental → Water → Surface water	2
`0d797794…`	EF 3.1	kg	Environmental → Water → Unknown	2

▶

Changes Applied

Elementary Flow	Field	Old Value	New Value	Comment
`0d79778e…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`0d79778e…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`0d79778f…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`0d79778f…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`0d797790…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`0d797790…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`0d797791…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`0d797791…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`0d797792…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`0d797792…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`0d797793…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`0d797793…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`0d797794…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`0d797794…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`0d797795…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`0d797795…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`4d9a8790…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`4d9a8790…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`4d9a8790…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`4d9a8790…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`4d9a8790…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`4d9a8790…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}
`4d9a8790…`	`altLabel`	`—`	[{"@value":"1,2-Dibromo-3,3,3-trifluoropropane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 2,3-dibromo-1,1,1-trifluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:431-21-0","https://commonchemistry.cas.org/detail?cas_rn=431-21-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=431-21-0; added Common Chemistry CAS names as altLabel: 1,2-Dibromo-3,3,3-trifluoropropane, Propane, 2,3-dibromo-1,1,1-trifluoro-; object_uuid=fo-6875e1fa05db9e7e
`4d9a8790…`	`cas_match_labels`	`—`	`{"431-21-0":"exactMatch"}`	group_key=2,3-dibromo-1,1,1-trifluoropropane\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'431-21-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6875e1fa05db9e7e: {'431-21-0': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-6875e1fa05db9e7e",
  "prefLabel": [
    {
      "@value": "2,3-dibromo-1,1,1-trifluoropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
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  ],
  "altLabel": [
    {
      "@value": "1,2-Dibromo-3,3,3-trifluoropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "altLabel"
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    },
    {
      "@value": "Propane, 2,3-dibromo-1,1,1-trifluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H3Br2F3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QLFNALFIHRMXPX-UHFFFAOYSA-N",
        "XFOCTDPLVDZSGA-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(C(F)(F)F)Br)Br",
        "CC(C(F)(F)F)(Br)Br"
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      "rdfs:label": "SMILES",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C3H3Br2F3/c1-2(4,5)3(6,7)8/h1H3",
        "InChI=1S/C3H3Br2F3/c4-1-2(5)3(6,7)8/h2H,1H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
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