CHEBI:142833 - chlorfenac-sodium

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ChEBI Name chlorfenac-sodium
ChEBI ID CHEBI:142833
Definition An organic sodium salt comprising equimolar amounts of chlorfenac(1-) anions and sodium cations. An obsolete herbicide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H4Cl3NaO2
Net Charge 0
Average Mass 261.465
Monoisotopic Mass 259.91746
InChI InChI=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
InChIKey YPWJVPXHSDMPQB-UHFFFAOYSA-M
SMILES C1(=CC=C(C(=C1Cl)CC([O-])=O)Cl)Cl.[Na+]
Roles Classification
Biological Role(s): synthetic auxin
A synthetic compound exhibiting auxin activity.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing 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 Sources
2,3,6-trichlorobenzeneacetic acid sodium salt ChEBI
2,3,6-trichlorophenylacetic acid, sodium salt ChemIDplus
sodium 2,3,6-trichlorobenzeneacetate ChEBI
sodium chlorfenac ChemIDplus
Manual Xref Database
derivatives/chlorfenac-sodium Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
2439-00-1 CAS Registry Number Alan Wood's Pesticides
2439-00-1 CAS Registry Number ChemIDplus
Last Modified
23 December 2018