Brightway Flows 1.0
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5-amino-2-chlorobenzoic Acid 1-allyloxycarbonyl-1-methyl-ethyl Ester

fo-153e293473267ae5

Identity

Type
Neutral molecule
CAS
174489-43-1
EC
696-318-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5-amino-2-chlorobenzoic Acid 1-allyloxycarbonyl-1-methyl-ethyl Ester

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RGPKEFLHWNRAPS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H16ClNO4/c1-4-7-19-13(18)14(2,3)20-12(17)10-8-9(16)5-6-11(10)15/h4-6,8H,1,7,16H2,2-3H3
IUPAC name chemrof:IUPAC_name 5-amino-2-chlorobenzoic Acid 1-allyloxycarbonyl-1-methyl-ethyl Ester
Molecular formula chemrof:molecular_formula C14H16ClNO4
Molecular mass chemrof:molecular_mass 297.738
Monoisotopic mass chemrof:monoisotopic_mass 297.076786
SMILES string chemrof:smiles_string C=CCOC(=O)C(C)(C)OC(=O)c1cc(N)ccc1Cl

Known URLs

5

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=174489-43-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.225.663 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301031502 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10968509 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126673405 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a58fea1c-c56e-4e50-b430-310d92b59bd8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1f02f288-169b-4694-acf2-2277572d024e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5cd03ff9-2242-4003-9b46-64cd723749b5 Environmental → Air → Indoor EF 3.1 kg 2
83aea24c-8b28-4c56-a149-01adc956d794 Environmental → Air → Long-term EF 3.1 kg 0
6297a89c-78fc-419c-be77-ed2602adf733 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
641535ae-d4e6-40c9-b98c-4d23f258fe0a Environmental → Air → Unknown EF 3.1 kg 2
3c83904b-60df-4f48-b3c2-e8efc035648f Environmental → Ground → Agricultural EF 3.1 kg 2
f305da9d-552b-4ad9-a4f7-1e5e114c067a Environmental → Ground → Non-agricultural EF 3.1 kg 2
5e64854a-fbb4-43e4-ad99-1e887f9a34ae Environmental → Ground → Unknown EF 3.1 kg 2
e1823960-2400-4d67-9505-18811f2da305 Environmental → Water → Long-term EF 3.1 kg 0
3405369a-a83d-4fbb-8f43-e20c119540b9 Environmental → Water → Ocean EF 3.1 kg 2
32bbf93d-9c16-4242-9eb9-1915fd98a430 Environmental → Water → Surface water EF 3.1 kg 2
0c81b56b-ebe7-40b0-9021-15cdf3b85a8e 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-153e293473267ae5",
  "prefLabel": [
    {
      "@value": "5-amino-2-chlorobenzoic Acid 1-allyloxycarbonyl-1-methyl-ethyl Ester",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 5-amino-2-chlorobenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(Allyloxy)-2-methyl-1-oxopropan-2-yl 5-amino-2-chlorobenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester",
      "@language": "en",
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      }
    },
    {
      "@value": "Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester",
      "@language": "en",
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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