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CHEBI:30748 - 2,4-dichlorobenzoic acid

ChEBI IDCHEBI:30748
ChEBI Name2,4-dichlorobenzoic acid
Stars
DefinitionA chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups.
Secondary ChEBI IDsCHEBI:907, CHEBI:19340
Last Modified22 October 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H4Cl2O2
Net Charge0
Average Mass191.013
Monoisotopic Mass189.95883
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)
InChIKeyATCRIUVQKHMXSH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fischerella ambigua (ncbitaxon:56108) - PubMed (15787461)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,4-dichlorobenzoic acid (CHEBI:30748) has functional parent benzoic acid (CHEBI:30746)
2,4-dichlorobenzoic acid (CHEBI:30748) has role bacterial metabolite (CHEBI:76969)
2,4-dichlorobenzoic acid (CHEBI:30748) is a chlorobenzoic acid (CHEBI:23134)
2,4-dichlorobenzoic acid (CHEBI:30748) is a dichlorobenzene (CHEBI:23697)
2,4-dichlorobenzoic acid (CHEBI:30748) is conjugate acid of 2,4-dichlorobenzoate (CHEBI:28995)
Incoming Relation(s)
1-(2,4-dichlorobenzoyl)-1H-1,2,3-benzotriazole (CHEBI:75330) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748)
1-(2,4-dichlorobenzoyl)-1H-benzimidazole (CHEBI:75333) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748)
2,4-dichlorobenzoyl-CoA (CHEBI:15470) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748)
2,4-dichlorobenzoate (CHEBI:28995) is conjugate base of 2,4-dichlorobenzoic acid (CHEBI:30748)
IUPAC Name 
2,4-dichlorobenzoic acid
Synonym  Source
2,4-Dichlorobenzoic acidKEGG COMPOUND
Manual XrefsDatabases
C06670KEGG COMPOUND
Registry NumbersSources
Gmelin:562565Gmelin
Reaxys:1868192Reaxys
CAS:50-84-0KEGG COMPOUND
CAS:50-84-0ChemIDplus
CAS:50-84-0NIST Chemistry WebBook
Citations