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CHEBI:142832 - chlorfenac-ammonium

ChEBI IDCHEBI:142832
ChEBI Namechlorfenac-ammonium
Stars
DefinitionAn ammonium salt comprising equimolar amounts of chlorfenac(1-) anions and ammonium cations. An obsolete herbicide.
Last Modified23 December 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H4Cl3O2.H4N
Net Charge0
Average Mass256.516
Monoisotopic Mass254.96206
SMILESO=C([O-])Cc1c(Cl)ccc(Cl)c1Cl.[NH4+]
InChIInChI=1S/C8H5Cl3O2.H3N/c9-5-1-2-6(10)8(11)4(5)3-7(12)13;/h1-2H,3H2,(H,12,13);1H3
InChIKeyDZRJBVFMFCMALE-UHFFFAOYSA-N
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-ammonium (CHEBI:142832) has part chlorfenac(1−) (CHEBI:142831)
chlorfenac-ammonium (CHEBI:142832) has role agrochemical (CHEBI:33286)
chlorfenac-ammonium (CHEBI:142832) has role herbicide (CHEBI:24527)
chlorfenac-ammonium (CHEBI:142832) has role synthetic auxin (CHEBI:26841)
chlorfenac-ammonium (CHEBI:142832) is a ammonium salt (CHEBI:47704)
IUPAC Name 
ammonium (2,3,6-trichlorophenyl)acetate
Synonyms  Source
2,3,6-trichlorobenzeneacetic acid ammonium saltChemIDplus
ammonium 2,3,6-trichlorobenzeneacetateChEBI
ammonium chlorfenacChemIDplus
2,3,6-trichlorophenylacetic acid, ammonium saltChemIDplus
Manual XrefsDatabases
derivatives/chlorfenac-ammoniumAlan Wood's Pesticides
Registry NumbersSources
CAS:53404-90-3ChemIDplus
CAS:53404-90-3Alan Wood's Pesticides