Consensus flow list

Identity

Type
Neutral molecule
CAS
93-70-9
EC
202-269-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(2-chlorophenyl)-3-oxo-butanamide

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BFVHBHKMLIBQNN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)
IUPAC name chemrof:IUPAC_name N-(2-chlorophenyl)-3-oxo-butanamide
Molecular formula chemrof:molecular_formula C10H10ClNO2
Molecular mass chemrof:molecular_mass 211.648
Monoisotopic mass chemrof:monoisotopic_mass 211.040006
SMILES string chemrof:smiles_string CC(=O)CC(=O)Nc1ccccc1Cl

Known URLs

8

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=93-70-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.064 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9052630 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3913 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5KXO30B5F8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.681G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7156 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27895410 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a030b081-f856-4bf6-8448-6581bed7b427 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
07455b89-9cdb-4ce9-9ef1-4c822e2f37bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
58e06548-19e8-4c03-abff-cbb2f0da52a3 Environmental → Air → Indoor EF 3.1 kg 2
9e04ae98-2cae-48ad-9d7b-8e4f8e32845a Environmental → Air → Long-term EF 3.1 kg 0
788c734e-1c0e-4901-a148-da7458d230a0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
421c952f-06ed-4754-b71e-fd85429c8e14 Environmental → Air → Unknown EF 3.1 kg 2
7db3f731-eeeb-4943-b7cd-ed471b9b199c Environmental → Ground → Agricultural EF 3.1 kg 2
7c668ecd-9184-4fd7-9f80-67c3b32b1e9d Environmental → Ground → Non-agricultural EF 3.1 kg 2
39d4eb7d-9cfd-4b25-8b62-19fb1c88e4e2 Environmental → Ground → Unknown EF 3.1 kg 2
a5bf7873-9297-421f-af48-adaf6049f059 Environmental → Water → Long-term EF 3.1 kg 0
8bca1a89-4766-4649-b290-51160fba1ba4 Environmental → Water → Ocean EF 3.1 kg 2
1fac276e-e8b7-4dcf-951c-a8d954828118 Environmental → Water → Surface water EF 3.1 kg 2
85556b67-40ae-4a36-a69f-0fd861b7f7e4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "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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