quinmerac (CHEBI:84199)

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ChEBI Name	quinmerac

ChEBI ID	CHEBI:84199

Definition	A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet.

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

Submitter	jewie jewie

Secondary ChEBI IDs	CHEBI:84200, CHEBI:82039

Supplier Information	ChemicalBook:CB8703176, eMolecules:529950, ZINC000034800261

Download	Molfile XML SDF

Formula

C11H8ClNO2

Net Charge

Average Mass

221.64000

Monoisotopic Mass

221.02436

InChI

InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)

InChIKey

ALZOLUNSQWINIR-UHFFFAOYSA-N

SMILES

Cc1cnc2c(C(O)=O)c(Cl)ccc2c1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	synthetic auxin A synthetic compound exhibiting auxin activity.

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

ChEBI Ontology
Outgoing	quinmerac (CHEBI:84199) has role environmental contaminant (CHEBI:78298) quinmerac (CHEBI:84199) has role herbicide (CHEBI:24527) quinmerac (CHEBI:84199) has role synthetic auxin (CHEBI:26841) quinmerac (CHEBI:84199) is a organochlorine compound (CHEBI:36683) quinmerac (CHEBI:84199) is a quinolinemonocarboxylic acid (CHEBI:26512)

IUPAC Name

7-chloro-3-methylquinoline-8-carboxylic acid

Synonyms	Sources
7-Chloro-3-methyl-8-quinolinecarboxylic acid	ChemIDplus
BAS 518	ChemIDplus

Last Modified

14 January 2015