3,5-dichlorobenzoic acid (CHEBI:166846)

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ChEBI Name	3,5-dichlorobenzoic acid

ChEBI ID	CHEBI:166846

Definition	A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups.

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

Submitter	Elad Noor

Supplier Information

Download	Molfile XML SDF

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Formula

C7H4Cl2O2

Net Charge

Average Mass

191.010

Monoisotopic Mass

189.95883

InChI

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

InChIKey

CXKCZFDUOYMOOP-UHFFFAOYSA-N

SMILES

OC(=O)C1=CC(Cl)=CC(Cl)=C1

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):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	3,5-dichlorobenzoic acid (CHEBI:166846) has functional parent benzoic acid (CHEBI:30746) 3,5-dichlorobenzoic acid (CHEBI:166846) has role herbicide (CHEBI:24527) 3,5-dichlorobenzoic acid (CHEBI:166846) has role metabolite (CHEBI:25212) 3,5-dichlorobenzoic acid (CHEBI:166846) is a chlorobenzoic acid (CHEBI:23134) 3,5-dichlorobenzoic acid (CHEBI:166846) is a dichlorobenzene (CHEBI:23697) 3,5-dichlorobenzoic acid (CHEBI:166846) is conjugate acid of 3,5-dichlorobenzoate (CHEBI:166847)

Incoming	3,5-dichlorobenzoate (CHEBI:166847) is conjugate base of 3,5-dichlorobenzoic acid (CHEBI:166846)

IUPAC Name

3,5-dichlorobenzoic acid

Last Modified

13 November 2020