CHEBI:136694 - 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid

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ChEBI Name 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
ChEBI ID CHEBI:136694
Definition A monocarboxylic acid that is 2-phenoxypropanoic acid in which the hydrogen at the para position of the phenyl ring has been replaced by a [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy group.
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)
InChIKey GOCUAJYOYBLQRH-UHFFFAOYSA-N
SMILES C=1(N=CC(=CC1Cl)C(F)(F)F)OC2=CC=C(OC(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 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694) is a aromatic ether (CHEBI:35618)
2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694) is a monocarboxylic acid (CHEBI:25384)
2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694) is a organochlorine compound (CHEBI:36683)
2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694) is a organofluorine compound (CHEBI:37143)
2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694) is a pyridines (CHEBI:26421)
Incoming 2-ethoxyethyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:136736) has functional parent 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694)
methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:136720) has functional parent 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694)
(S)-haloxyfop (CHEBI:136692) is a 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694)
haloxyfop-P (CHEBI:47454) is a 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:136694)
IUPAC Name
2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
Synonym Source
2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propionic acid ChEBI
Manual Xref Database
1066 PPDB
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Last Modified
05 April 2017
General Comment
2017-04-03 Note that this is the entry for material with unspecified configuration. There are separate entries for the racemate (haloxyfop) and for the individual enantiomers [haloxyfop-P and (S)-haloxyfop].