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CHEBI:82235 - chlorfenac

ChEBI IDCHEBI:82235
ChEBI Namechlorfenac
Stars
DefinitionA member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group has been substituted by chlorines at positions 2, 3, and 6. An obsolete herbicide that was used as its sodium and ammonium salts.
Last Modified23 December 2018
DownloadsMolfile
FormulaC8H5Cl3O2
Net Charge0
Average Mass239.485
Monoisotopic Mass237.93551
SMILESO=C(O)Cc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKeyQZXCCPZJCKEPSA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
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.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
chlorfenac (CHEBI:82235) has role agrochemical (CHEBI:33286)
chlorfenac (CHEBI:82235) has role herbicide (CHEBI:24527)
chlorfenac (CHEBI:82235) has role synthetic auxin (CHEBI:26841)
chlorfenac (CHEBI:82235) is a phenylacetic acids (CHEBI:25978)
chlorfenac (CHEBI:82235) is a trichlorobenzene (CHEBI:27096)
chlorfenac (CHEBI:82235) is conjugate acid of chlorfenac(1−) (CHEBI:142831)
Incoming Relation(s)
chlorfenac(1−) (CHEBI:142831) is conjugate base of chlorfenac (CHEBI:82235)
IUPAC Name 
(2,3,6-trichlorophenyl)acetic acid
Synonyms  Source
2,3,6-trichlorobenzeneacetic acidChemIDplus
2,3,6-TrichlorphenylessigsaeureChemIDplus
2,3,6-TCAChemIDplus
chlorfénacChEBI
fenacAlan Wood's Pesticides
Manual XrefsDatabases
C19114KEGG COMPOUND
1194PPDB
chlorfenacAlan Wood's Pesticides
Registry NumbersSources
CAS:85-34-7KEGG COMPOUND
CAS:85-34-7ChemIDplus
CAS:85-34-7NIST Chemistry WebBook
CAS:85-34-7Alan Wood's Pesticides