4-chlorobenzoic acid (CHEBI:30747)

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ChEBI Name	4-chlorobenzoic acid

ChEBI ID	CHEBI:30747

Definition	A monochlorobenzoic acid carrying a chloro substituent at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:49369, CHEBI:1803, CHEBI:20334

Supplier Information

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Formula

C7H5ClO2

Net Charge

Average Mass

156.56610

Monoisotopic Mass

155.99781

InChI

InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

XRHGYUZYPHTUJZ-UHFFFAOYSA-N

SMILES

OC(=O)c1ccc(Cl)cc1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.

ChEBI Ontology
Outgoing	4-chlorobenzoic acid (CHEBI:30747) has functional parent benzoic acid (CHEBI:30746) 4-chlorobenzoic acid (CHEBI:30747) has role bacterial xenobiotic metabolite (CHEBI:76976) 4-chlorobenzoic acid (CHEBI:30747) is a monochlorobenzoic acid (CHEBI:51967) 4-chlorobenzoic acid (CHEBI:30747) is conjugate acid of 4-chlorobenzoate (CHEBI:17861)

Incoming	4-chlorobenzoyl chloride (CHEBI:60716) has functional parent 4-chlorobenzoic acid (CHEBI:30747) 4-chlorobenzoyl-CoA (CHEBI:15498) has functional parent 4-chlorobenzoic acid (CHEBI:30747) 4-chlorobenzoate (CHEBI:17861) is conjugate base of 4-chlorobenzoic acid (CHEBI:30747) 4-chlorobenzoyl group (CHEBI:60717) is substituent group from 4-chlorobenzoic acid (CHEBI:30747)

IUPAC Name

4-chlorobenzoic acid

Last Modified

23 January 2014