2,3-dichlorobenzoic Acid

2,3-dichloro-benzoic acid
benzoic acid, 2,3-dichloro-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	QAOJBHRZQQDFHA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
IUPAC name chemrof:IUPAC_name	2,3-dichlorobenzoic Acid
Molecular formula chemrof:molecular_formula	C7H4Cl2O2
Molecular mass chemrof:molecular_mass	191.013
Monoisotopic mass chemrof:monoisotopic_mass	189.95883, 189.958835
SMILES string chemrof:smiles_string	O=C(O)c1cccc(Cl)c1Cl

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
agr	agr:IND22008468	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=50-45-3	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:166845	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.000.036	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5024976	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1353833	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CGP39QV5WF	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J129.374E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/5765	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/16656441	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/17409544	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22454391	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24394535	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/3111366	enrich_references.chebi_xrefs
reaxys	reaxys:1946217	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q27275451	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ca0d514d-9736-4529-842f-9e6db62b201b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
7693f06e-ebc3-4f09-a338-ea5b4c955131	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2b9c1700-594e-45ef-9d29-7784edad2e02	Environmental → Air → Indoor	EF 3.1	kg	2
08727eef-c30a-40b3-bc22-f69e3a47a4d0	Environmental → Air → Long-term	EF 3.1	kg	0
64e12338-8bf1-4373-8e77-9fef9a1daaca	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
f2679a91-2037-49e8-967e-a161c1af6dc9	Environmental → Air → Unknown	EF 3.1	kg	2
7d4a6b3b-110b-4dcf-bd0a-fe2388f30045	Environmental → Ground → Agricultural	EF 3.1	kg	2
6e32af95-e5ae-4c01-8b89-15af5a7d9179	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
904d933b-7b8e-43e7-a587-30521c4d7638	Environmental → Ground → Unknown	EF 3.1	kg	2
5de21f5a-8515-417b-b55d-2a81600cdd68	Environmental → Water → Long-term	EF 3.1	kg	0
dea8fa03-0a3a-492f-8b81-764f7d6c181b	Environmental → Water → Ocean	EF 3.1	kg	2
61535fab-90cf-4a28-a265-0a1830e81f29	Environmental → Water → Surface water	EF 3.1	kg	2
4221d37c-863e-40bd-ba80-e609d7ec192e	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 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": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 3 are substituted by chloro groups.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_166845"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@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

2,3-dichlorobenzoic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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