Consensus flow list

Identity

Type
NeutralMolecule
CAS
93-84-5
EC
202-282-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5-nitro-1,3-dihydro-2h-benzimidazol-2-one

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DLJZIPVEVJOKHB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)
IUPAC name chemrof:IUPAC_name 5-nitro-1,3-dihydro-2h-benzimidazol-2-one
Molecular formula chemrof:molecular_formula C7H5N3O3
Molecular mass chemrof:molecular_mass 179.135
Monoisotopic mass chemrof:monoisotopic_mass 179.033091
SMILES string chemrof:smiles_string O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1

Known URLs

10

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=93-84-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.076 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9059092 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10380 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2022013 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VF94AM247W enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.615I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3725611 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020317 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72494626 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a74d9575-4fd5-45ce-a850-486478504d12 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
58557196-32c0-4f2a-b415-0cd29f6b93a4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
91325618-97e7-4912-b725-54b1f5bbbe33 Environmental → Air → Indoor EF 3.1 kg 2
2649f9df-850c-45be-a09f-32eb258d71e0 Environmental → Air → Long-term EF 3.1 kg 0
6bcee5a4-0d10-49d0-8296-eef2bc88ff46 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0207e5cb-e1b9-414d-b2bd-dcec7f1040b0 Environmental → Air → Unknown EF 3.1 kg 2
100597a2-c8ac-46ea-a39c-77c165a207fd Environmental → Ground → Agricultural EF 3.1 kg 2
5d05dac3-8c23-48f1-9dd6-bd1cb7b1cea4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0ffc0b95-6242-49a6-b395-92c3c972aa54 Environmental → Ground → Unknown EF 3.1 kg 2
91500293-49a0-48ee-adaa-40f603c4b32c Environmental → Water → Long-term EF 3.1 kg 0
b51029db-32f1-45f6-9d36-f6942ed967d5 Environmental → Water → Ocean EF 3.1 kg 2
a564fef9-2d20-4fbf-8f06-6dec3d7b6eb1 Environmental → Water → Surface water EF 3.1 kg 2
313314c6-0453-45bb-8721-69d400b43234 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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