CHEBI:82235 - chlorfenac

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ChEBI Name chlorfenac
ChEBI ID CHEBI:82235
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H5Cl3O2
Net Charge 0
Average Mass 239.483
Monoisotopic Mass 237.93551
InChI InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKey QZXCCPZJCKEPSA-UHFFFAOYSA-N
SMILES C1(=CC=C(C(=C1Cl)CC(O)=O)Cl)Cl
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): synthetic auxin
A synthetic compound exhibiting auxin activity.
Application(s): herbicide
A substance used to destroy plant pests.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing 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 chlorfenac(1−) (CHEBI:142831) is conjugate base of chlorfenac (CHEBI:82235)
IUPAC Name
(2,3,6-trichlorophenyl)acetic acid
Synonyms Sources
2,3,6-TCA ChemIDplus
2,3,6-trichlorobenzeneacetic acid ChemIDplus
2,3,6-Trichlorphenylessigsaeure ChemIDplus
chlorfénac ChEBI
fenac
Note: (2018-12-23) Name used in Canada and the USA.
 Alan Wood's Pesticides
Manual Xrefs Databases
1194 PPDB
C19114 KEGG COMPOUND
chlorfenac Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
85-34-7 CAS Registry Number Alan Wood's Pesticides
85-34-7 CAS Registry Number NIST Chemistry WebBook
85-34-7 CAS Registry Number ChemIDplus
Last Modified
23 December 2018