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CHEBI:136692 - (S)-haloxyfop

ChEBI IDCHEBI:136692
ChEBI Name(S)-haloxyfop
Stars
ASCII Name(S)-haloxyfop
DefinitionA 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid that has S configuration. It is the least-active enantiomer of the (racemic) herbicide haloxyfop.
Last Modified5 April 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H11ClF3NO4
Net Charge0
Average Mass361.703
Monoisotopic Mass361.03287
SMILESC[C@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m0/s1
InChIKeyGOCUAJYOYBLQRH-QMMMGPOBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(S)-haloxyfop (CHEBI:136692) is a 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694)
(S)-haloxyfop (CHEBI:136692) is conjugate acid of (S)-haloxyfop(1−) (CHEBI:136718)
(S)-haloxyfop (CHEBI:136692) is enantiomer of haloxyfop-P (CHEBI:47454)
Incoming Relation(s)
(S)-haloxyfop-methyl (CHEBI:136733) has functional parent (S)-haloxyfop (CHEBI:136692)
haloxyfop (CHEBI:365) has part (S)-haloxyfop (CHEBI:136692)
(S)-haloxyfop(1−) (CHEBI:136718) is conjugate base of (S)-haloxyfop (CHEBI:136692)
haloxyfop-P (CHEBI:47454) is enantiomer of (S)-haloxyfop (CHEBI:136692)
IUPAC Name 
(2S)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
Synonyms  Source
(−)-haloxyfopChemIDplus
(S)-(−)-haloxyfopChemIDplus
(S)-haloxyfop-acidChEBI
Registry NumbersSources
Reaxys:8571971Reaxys
CAS:95977-27-8ChemIDplus
Citations