2,6-dichlorobenzoic acid (CHEBI:48623)

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ChEBI Name	2,6-dichlorobenzoic acid

ChEBI ID	CHEBI:48623

Definition	A chlorobenzoic acid carrying two chloro groups at positions 2 and 6 respectively.

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

Supplier Information

Download	Molfile XML SDF

Formula

C7H4Cl2O2

Net Charge

Average Mass

191.01086

Monoisotopic Mass

189.95883

InChI

InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

InChIKey

MRUDNSFOFOQZDA-UHFFFAOYSA-N

SMILES

OC(=O)c1c(Cl)cccc1Cl

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	2,6-dichlorobenzoic acid (CHEBI:48623) has functional parent benzoic acid (CHEBI:30746) 2,6-dichlorobenzoic acid (CHEBI:48623) has role bacterial xenobiotic metabolite (CHEBI:76976) 2,6-dichlorobenzoic acid (CHEBI:48623) is a chlorobenzoic acid (CHEBI:23134) 2,6-dichlorobenzoic acid (CHEBI:48623) is a dichlorobenzene (CHEBI:23697) 2,6-dichlorobenzoic acid (CHEBI:48623) is conjugate acid of 2,6-dichlorobenzoate (CHEBI:48624)

Incoming	2,6-dichlorobenzoate (CHEBI:48624) is conjugate base of 2,6-dichlorobenzoic acid (CHEBI:48623) 2,6-dichlorobenzoyl group (CHEBI:48625) is substituent group from 2,6-dichlorobenzoic acid (CHEBI:48623)

IUPAC Name

2,6-dichlorobenzoic acid

Last Modified

22 October 2014