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CHEBI:83287 - 3,4-dichlorobenzoate

ChEBI IDCHEBI:83287
ChEBI Name3,4-dichlorobenzoate
Stars
DefinitionA chlorobenzoate obtained by deprotonation of the carboxy group of 3,4-dichlorobenzoic acid. The major species at pH 7.3.
Last Modified13 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H3Cl2O2
Net Charge-1
Average Mass190.005
Monoisotopic Mass188.95156
SMILESO=C([O-])c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)/p-1
InChIKeyVPHHJAOJUJHJKD-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,4-dichlorobenzoate (CHEBI:83287) is a chlorobenzoate (CHEBI:23133)
3,4-dichlorobenzoate (CHEBI:83287) is conjugate base of 3,4-dichlorobenzoic acid (CHEBI:49401)
Incoming Relation(s)
3,4-dichlorobenzoic acid (CHEBI:49401) is conjugate acid of 3,4-dichlorobenzoate (CHEBI:83287)
IUPAC Name 
3,4-dichlorobenzoate
Registry NumbersSources
Reaxys:3665338Reaxys