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CHEBI:84199 - quinmerac

ChEBI IDCHEBI:84199
ChEBI Namequinmerac
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:82039, CHEBI:84200
Last Modified14 January 2015
Submitterjewie
DownloadsMolfile
FormulaC11H8ClNO2
Net Charge0
Average Mass221.643
Monoisotopic Mass221.02436
SMILESCc1cnc2c(C(=O)O)c(Cl)ccc2c1
InChIInChI=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)
InChIKeyALZOLUNSQWINIR-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
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 (Brønsted base).
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
7-Chloro-3-methyl-8-quinolinecarboxylic acidChemIDplus
BAS 518ChemIDplus
Manual XrefsDatabases
C18891KEGG COMPOUND
quinmeracAlan Wood's Pesticides
EP2272349Patent
EP0445420Patent
578PPDB
Registry NumbersSources
Reaxys:8392904Reaxys
CAS:90717-03-6KEGG COMPOUND
CAS:90717-03-6ChemIDplus
Citations