Consensus flow list

Identity

Type
Neutral molecule
CAS
846023-24-3
EC
617-590-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-cyano-n-(2,4-dichloro-5-methoxyphenyl)acetamide

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RPWHAQJEZWBZGX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H8Cl2N2O2/c1-16-9-5-8(6(11)4-7(9)12)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
IUPAC name chemrof:IUPAC_name N-(2,4-Dichloro-5-methoxyphenyl)-2-cyanoacetamide
Molecular formula chemrof:molecular_formula C10H8Cl2N2O2
Molecular mass chemrof:molecular_mass 259.092
Monoisotopic mass chemrof:monoisotopic_mass 257.996283
SMILES string chemrof:smiles_string COc1cc(NC(=O)CC#N)c(Cl)cc1Cl

Known URLs

6

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=846023-24-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.121.208 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70582702 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K3SP4M83RW enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16099178 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72458038 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6aa14a90-21ac-4aa1-9019-856df9ed78d2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bed49e1b-4268-4387-9f8a-3b207e7b8b4b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3aebc253-d698-451c-aba2-50a6fb0ddaff Environmental → Air → Indoor EF 3.1 kg 2
b80533d3-ac1b-4319-93b7-0f08c5853bbf Environmental → Air → Long-term EF 3.1 kg 0
6a918bc5-e549-40de-995e-3ff129daa811 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9f27f148-963b-4111-bd9d-70bd5879d912 Environmental → Air → Unknown EF 3.1 kg 2
8765aae7-98ce-45bd-9977-401cfbe53ed8 Environmental → Ground → Agricultural EF 3.1 kg 2
9a03050a-6ca8-4e80-80ef-8caa894071ca Environmental → Ground → Non-agricultural EF 3.1 kg 2
0a807578-7937-43e4-9599-835e42444dcd Environmental → Ground → Unknown EF 3.1 kg 2
c4c911d5-cfb2-4cc4-ae7b-568737532549 Environmental → Water → Long-term EF 3.1 kg 0
ace7c06e-2342-4fb6-946a-39801483d2d0 Environmental → Water → Ocean EF 3.1 kg 2
26588ad0-6928-417e-951f-88714c64449a Environmental → Water → Surface water EF 3.1 kg 2
17110ed2-f0da-4274-90c0-0ad47840225d 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
{
  "flow_object_id": "fo-02ee9483e3069040",
  "prefLabel": [
    {
      "@value": "2-cyano-n-(2,4-dichloro-5-methoxyphenyl)acetamide",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Acetamide, 2-cyano-N-(2,4-dichloro-5-methoxyphenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2,4-Dichloro-5-methoxyphenyl)-2-cyanoacetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C10H8Cl2N2O2"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
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      "provenance": [
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    },
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        },
        {
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    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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        ]
      },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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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",
      "@value": [
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      ],
      "provenance": [
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        },
        {
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          ]
        }
      ],
      "attested_by": {
        "257.996283": [
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0a807578-7937-43e4-9599-835e42444dcd",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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}

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