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CHEBI:142833 - chlorfenac-sodium

ChEBI IDCHEBI:142833
ChEBI Namechlorfenac-sodium
Stars
DefinitionAn organic sodium salt comprising equimolar amounts of chlorfenac(1-) anions and sodium cations. An obsolete herbicide.
Last Modified23 December 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H4Cl3O2.Na
Net Charge0
Average Mass261.467
Monoisotopic Mass259.91746
SMILESO=C([O-])Cc1c(Cl)ccc(Cl)c1Cl.[Na+]
InChIInChI=1S/C8H5Cl3O2.Na/c9-5-1-2-6(10)8(11)4(5)3-7(12)13;/h1-2H,3H2,(H,12,13);/q;+1/p-1
InChIKeyYPWJVPXHSDMPQB-UHFFFAOYSA-M
Roles Classification
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-sodium (CHEBI:142833) has part chlorfenac(1−) (CHEBI:142831)
chlorfenac-sodium (CHEBI:142833) has role agrochemical (CHEBI:33286)
chlorfenac-sodium (CHEBI:142833) has role herbicide (CHEBI:24527)
chlorfenac-sodium (CHEBI:142833) has role synthetic auxin (CHEBI:26841)
chlorfenac-sodium (CHEBI:142833) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (2,3,6-trichlorophenyl)acetate
Synonyms  Source
2,3,6-trichlorobenzeneacetic acid sodium saltChEBI
sodium 2,3,6-trichlorobenzeneacetateChEBI
2,3,6-trichlorophenylacetic acid, sodium saltChemIDplus
sodium chlorfenacChemIDplus
Manual XrefsDatabases
derivatives/chlorfenac-sodiumAlan Wood's Pesticides
Registry NumbersSources
CAS:2439-00-1ChemIDplus
CAS:2439-00-1Alan Wood's Pesticides