Consensus flow list

2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide

fo-c59addc663dadb3f

Identity

Type
Neutral molecule
CAS
12236-62-3
EC
235-462-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide

Alternative labels

20

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DLQMNSDNQWLFSS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H13ClN6O5/c1-8(25)15(23-22-12-4-2-9(18)6-14(12)24(28)29)16(26)19-10-3-5-11-13(7-10)21-17(27)20-11/h2-7,15H,1H3,(H,19,26)(H2,20,21,27)
IUPAC name chemrof:IUPAC_name 2-[2-(4-Chloro-2-nitrophenyl)diazenyl]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide
Molecular formula chemrof:molecular_formula C17H13ClN6O5
Molecular mass chemrof:molecular_mass 416.781
Monoisotopic mass chemrof:monoisotopic_mass 416.063595
SMILES string chemrof:smiles_string CC(=O)C(N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1

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=12236-62-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.032.227 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9041732 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/649L6L708A enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=3204.17.04.20 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.087A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25535 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126677910 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
14f9eff7-19a6-4c89-88bd-423256e94fff Environmental → Air → Aircraft cruise height EF 3.1 kg 4
75ed3d0b-65e0-4635-b535-86894d4959c8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8a06f8e8-1b18-4a9d-bda3-60a182f58d8c Environmental → Air → Indoor EF 3.1 kg 4
fe9a8c3c-c8be-4fa4-b902-2ee09d33afc9 Environmental → Air → Long-term EF 3.1 kg 0
351aa6a3-2f58-4304-a3f0-9f46099f56b8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b41a8449-d16c-42d5-b8a5-069b5a0f1d5d Environmental → Air → Unknown EF 3.1 kg 4
53c90ee1-8077-474e-afb9-129f8f7153fe Environmental → Ground → Agricultural EF 3.1 kg 4
5a5cbe7e-d591-4ff7-a2ff-86bbbdcbf1b4 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fb3a4f36-47e1-4dc0-be12-a4aca33a4e98 Environmental → Ground → Unknown EF 3.1 kg 4
a1e61cfb-e140-43ae-bbfd-17c5fd4f85cc Environmental → Water → Long-term EF 3.1 kg 0
034a20e8-dd95-43fd-a63e-1717bd87c95b Environmental → Water → Ocean EF 3.1 kg 4
c6e46e7d-3281-4362-b0cf-c3d9afa647a2 Environmental → Water → Surface water EF 3.1 kg 4
d712f822-4644-43f5-8368-92f84a510364 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-c59addc663dadb3f",
  "prefLabel": [
    {
      "@value": "2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-[2-(4-Chloro-2-nitrophenyl)diazenyl]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide",
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        ],
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      }
    },
    {
      "@value": "Acetoacetamide, 2-[(4-chloro-2-nitrophenyl)azo]-N-(2-oxo-5-benzimidazolinyl)-",
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    },
    {
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    },
    {
      "@value": "Butanamide, 2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-",
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      "@value": "Butanamide, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-",
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      "@value": "Symuler Fast Orange 4183H",
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  "properties": {
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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