CHEBI:136692 - (S)-haloxyfop

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ChEBI Name (S)-haloxyfop
ChEBI ID CHEBI:136692
ChEBI ASCII Name (S)-haloxyfop
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H11ClF3NO4
Net Charge 0
Average Mass 361.701
Monoisotopic Mass 361.03287
InChI InChI=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
InChIKey GOCUAJYOYBLQRH-QMMMGPOBSA-N
SMILES C=1(N=CC(=CC1Cl)C(F)(F)F)OC2=CC=C(O[C@H](C(O)=O)C)C=C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (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 (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 Sources
(−)-haloxyfop ChemIDplus
(S)-(−)-haloxyfop ChemIDplus
(S)-haloxyfop-acid ChEBI
Registry Numbers Types Sources
8571971 Reaxys Registry Number Reaxys
95977-27-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22395649 PubMed citation Europe PMC
2568910 PubMed citation Europe PMC
25742319 PubMed citation Europe PMC
Last Modified
05 April 2017