Brightway Flows 1.0
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4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride

fo-dadd84f4df77ba31

Identity

Type
Neutral molecule
CAS
816431-72-8
EC
617-251-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BSPWYRJWVCZIEF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H12ClNO5S/c1-22-13-5-3-2-4-12(13)15(19)17-23(20,21)11-8-6-10(7-9-11)14(16)18/h2-9H,1H3,(H,17,19)
IUPAC name chemrof:IUPAC_name 4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride
Molecular formula chemrof:molecular_formula C15H12ClNO5S
Molecular mass chemrof:molecular_mass 353.783, 707.566
Monoisotopic mass chemrof:monoisotopic_mass 353.012471, 706.024942
SMILES string chemrof:smiles_string COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1

Known URLs

4

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=816431-72-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.246 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201036454 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/165364912 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
e22fb435-0d5c-42bb-bde1-9419e30bc901 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a59016ec-6c7a-4667-8f35-ef5c69e72b95 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6fcfb825-e077-4d0b-80ef-988a661e44a3 Environmental → Air → Indoor EF 3.1 kg 2
66965fde-dc4b-4c75-b1f4-785711400947 Environmental → Air → Long-term EF 3.1 kg 0
f1ac42dd-fe1f-4c7a-8826-9f9a19f7af80 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4062cd19-1ef4-4c41-ae5c-840781ff5f27 Environmental → Air → Unknown EF 3.1 kg 2
49f0e242-b90a-4008-868c-19b677a8cfb5 Environmental → Ground → Agricultural EF 3.1 kg 2
38a5f279-f658-46ac-9baa-e8843ff07a5d Environmental → Ground → Non-agricultural EF 3.1 kg 2
a98a163a-c946-48a8-9e1b-bdbd4239e6e6 Environmental → Ground → Unknown EF 3.1 kg 2
e95e0be1-97a1-4496-8662-dff2b2935e0a Environmental → Water → Long-term EF 3.1 kg 0
9ac7a5d9-1683-4e8d-b07b-58f4775d6f3e Environmental → Water → Ocean EF 3.1 kg 2
d6c7d3e1-952f-4610-83a3-ed0efd6f3f0b Environmental → Water → Surface water EF 3.1 kg 2
d6768b07-fa7d-48cb-8399-8f1210f65072 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 
{
  "flow_object_id": "fo-dadd84f4df77ba31",
  "prefLabel": [
    {
      "@value": "4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-[[(2-Methoxybenzoyl)amino]sulfonyl]benzoyl chloride",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoyl chloride, 4-[[(2-methoxybenzoyl)amino]sulfonyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "@value": [
        "C15H12ClNO5S"
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      },
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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": {
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      "@value": [
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      ],
      "provenance": [
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  },
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  ],
  "created_from": {
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  "classifications": {
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      "rdfs:seeAlso": [
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  ]
}

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