Consensus flow list

Identity

Type
NeutralMolecule
CAS
22726-00-7
EC
607-149-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for M-bromobenzamide

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ODJFDWIECLJWSR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
IUPAC name chemrof:IUPAC_name M-bromobenzamide
Molecular formula chemrof:molecular_formula C7H6BrNO
Molecular mass chemrof:molecular_mass 200.035
Monoisotopic mass chemrof:monoisotopic_mass 198.963276
SMILES string chemrof:smiles_string NC(=O)c1cccc(Br)c1

Known URLs

9

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=22726-00-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.115.403 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5022277 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=81217 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL122690 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/694N917Z7T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.245.411B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/89807 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27893908 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5ec6078b-53b1-4974-8721-02631be06719 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1c54ce35-9e73-40df-8465-4c82fcb24d4c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
00a1d1f8-160b-4692-819a-4da25b63591e Environmental → Air → Indoor EF 3.1 kg 2
378bea07-de84-4a57-b19d-e60dff206108 Environmental → Air → Long-term EF 3.1 kg 0
8fab348a-b3c4-47e5-85d1-de00a17884f5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9f5ca851-2a25-41b8-9970-3ba7e895dcd4 Environmental → Air → Unknown EF 3.1 kg 2
e4a54ef0-326b-4d86-9890-026b76393049 Environmental → Ground → Agricultural EF 3.1 kg 2
e3f88808-8964-4aa3-8024-88c880f942b1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
bd803c04-02e1-490f-995d-d2a11431005b Environmental → Ground → Unknown EF 3.1 kg 2
97d752ed-e168-4f68-93a8-d057d2b4fcbb Environmental → Water → Long-term EF 3.1 kg 0
c360ecfd-917e-428c-ac7b-6eca85368de7 Environmental → Water → Ocean EF 3.1 kg 2
def8e7fa-2b11-4ef2-9441-63badba46025 Environmental → Water → Surface water EF 3.1 kg 2
dbdcd5c1-e865-490d-9ae1-e2ce0b685959 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-639fcf703323f706",
  "prefLabel": [
    {
      "@value": "M-bromobenzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Bromobenzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:22726-00-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=22726-00-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Bromobenzenecarboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=22726-00-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzamide, 3-bromo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzamide, m-bromo-",
      "@language": "en",
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      "provenance": {
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      "rdfs:label": "Molecular mass",
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      "provenance": [
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          ]
        },
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      ],
      "attested_by": {
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      },
      "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",
      "rdfs:label": "Monoisotopic mass",
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        },
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
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}

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