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CHEBI:28995 - 2,4-dichlorobenzoate

ChEBI IDCHEBI:28995
ChEBI Name2,4-dichlorobenzoate
Stars
DefinitionA chlorobenzoate obtained by deprotonation of the carboxy group of 2,4-dichlorobenzoic acid.
Secondary ChEBI IDCHEBI:19348
Last Modified1 September 2014
DownloadsMolfile
FormulaC7H3Cl2O2
Net Charge-1
Average Mass190.005
Monoisotopic Mass188.95156
SMILESO=C([O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)/p-1
InChIKeyATCRIUVQKHMXSH-UHFFFAOYSA-M
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,4-dichlorobenzoate (CHEBI:28995) has functional parent benzoate (CHEBI:16150)
2,4-dichlorobenzoate (CHEBI:28995) has role bacterial metabolite (CHEBI:76969)
2,4-dichlorobenzoate (CHEBI:28995) is a chlorobenzoate (CHEBI:23133)
2,4-dichlorobenzoate (CHEBI:28995) is conjugate base of 2,4-dichlorobenzoic acid (CHEBI:30748)
Incoming Relation(s)
2,4-dichlorobenzoic acid (CHEBI:30748) is conjugate acid of 2,4-dichlorobenzoate (CHEBI:28995)
IUPAC Name 
2,4-dichlorobenzoate
Manual XrefsDatabases
c0188UM-BBD
Registry NumbersSources
Gmelin:329290Gmelin
Reaxys:4135889Reaxys