N-(2-chlorophenyl)-3-oxo-butanamide

2′-Chloroacetoacetanilide
AAoC
Acetoacet-o-chloroanilide
Acetoacetanilide, 2′-chloro-
Acetoacetic acid 2-chloroanilide
Acetoacetic acid o-chloroanilide
Acetoacetyl-2-chloroanilide
Acetoacetyl-o-chloroanilide
Butanamide, N-(2-chlorophenyl)-3-oxo-
N-(2-Chlorophenyl)-3-oxobutanamide
N-(2-Chlorophenyl)acetoacetamide
N-Acetoacetyl-2-chloroaniline
o-Acetoacetochloroanilide
o-Chloroacetoacetanilide

Property	Value
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

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	https://www.wikidata.org/wiki/Q27895410	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "202-269-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-269-1"
      ],
      "provenance": {
        "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"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

N-(2-chlorophenyl)-3-oxo-butanamide

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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