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CHEBI:142831 - chlorfenac(1−)

ChEBI IDCHEBI:142831
ChEBI Namechlorfenac(1−)
Stars
ASCII Namechlorfenac(1-)
DefinitionA monocarboxylic acid anion resulting from the deprotonation of the carboxy group of chlorfenac.
Last Modified23 December 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H4Cl3O2
Net Charge-1
Average Mass238.477
Monoisotopic Mass236.92824
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)/p-1
InChIKeyQZXCCPZJCKEPSA-UHFFFAOYSA-M
Roles Classification
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
chlorfenac(1−) (CHEBI:142831) has role herbicide (CHEBI:24527)
chlorfenac(1−) (CHEBI:142831) has role synthetic auxin (CHEBI:26841)
chlorfenac(1−) (CHEBI:142831) is a monocarboxylic acid anion (CHEBI:35757)
chlorfenac(1−) (CHEBI:142831) is conjugate base of chlorfenac (CHEBI:82235)
Incoming Relation(s)
chlorfenac-ammonium (CHEBI:142832) has part chlorfenac(1−) (CHEBI:142831)
chlorfenac-sodium (CHEBI:142833) has part chlorfenac(1−) (CHEBI:142831)
chlorfenac (CHEBI:82235) is conjugate acid of chlorfenac(1−) (CHEBI:142831)
IUPAC Name 
(2,3,6-trichlorophenyl)acetate
Synonym  Source
2,3,6-trichlorobenzeneacetateChEBI