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Methyl 2-amino-5-fluorobenzoate

fo-9d0065a51ad5155a

Identity

Type
Neutral molecule
CAS
319-24-4
EC
608-681-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Methyl 2-amino-5-fluorobenzoate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PUDDYSBKCDKATP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8FNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
IUPAC name chemrof:IUPAC_name Methyl 2-amino-5-fluorobenzoate
Molecular formula chemrof:molecular_formula C8H8FNO2
Molecular mass chemrof:molecular_mass 169.155
Monoisotopic mass chemrof:monoisotopic_mass 169.053907
SMILES string chemrof:smiles_string COC(=O)c1cc(F)ccc1N

Known URLs

5

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=319-24-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.111.343 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80382639 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2783401 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q69999898 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
07aadcf5-a093-43f1-905b-bda4c39629e0 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c543e9b6-801b-4304-8e5a-18b8a84963c3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
257869fe-3b7f-4ec3-8a26-a276150d3bb3 Environmental → Air → Indoor EF 3.1 kg 4
8c4a31a5-acec-4f4d-942b-89f491e63a9b Environmental → Air → Long-term EF 3.1 kg 0
4697c5af-c315-4a7c-9eae-a76ced151b7b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
cbbcab29-3112-404d-9932-e749d683aa5d Environmental → Air → Unknown EF 3.1 kg 4
1225589a-07b7-466d-8def-cafce28f021b Environmental → Ground → Agricultural EF 3.1 kg 4
04c0bdbc-e844-44ab-afa3-1cff9ee51c04 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4d0bd911-ab01-4a1b-8937-e5ba4ced4a09 Environmental → Ground → Unknown EF 3.1 kg 4
e5f41f72-2c5f-4f05-b9d7-d7c8ca4ff9d7 Environmental → Water → Long-term EF 3.1 kg 0
977f34ad-84f3-438b-ac06-2ee34ed39991 Environmental → Water → Ocean EF 3.1 kg 4
be1930a0-4931-43be-921b-9ed608a04550 Environmental → Water → Surface water EF 3.1 kg 4
3e2adc20-f015-4f12-8786-6f92c7c84552 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9d0065a51ad5155a",
  "prefLabel": [
    {
      "@value": "Methyl 2-amino-5-fluorobenzoate",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Amino-5-fluorobenzoic acid methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anthranilic acid, 5-fluoro-, methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=319-24-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 2-amino-5-fluoro-, methyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyl 5-fluoroanthranilate",
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      "rdfs:label": "InChI",
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      ],
      "provenance": [
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    },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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        }
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      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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  ],
  "created_from": {
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    "seed_uuid": "04c0bdbc-e844-44ab-afa3-1cff9ee51c04",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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