CHEBI:137509 - 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid

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ChEBI Name 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
ChEBI ID CHEBI:137509
Definition A monocarboxylic acid that is 2-phenoxypropanoic acid in which the phenyl group is substituted at the para position by a (6-chloroquinoxalin-2-yl)oxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H13ClN2O4
Net Charge 0
Average Mass 344.750
Monoisotopic Mass 344.05638
InChI InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)
InChIKey ABOOPXYCKNFDNJ-UHFFFAOYSA-N
SMILES C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)OC(C(O)=O)C
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-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509) is a aromatic ether (CHEBI:35618)
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509) is a monocarboxylic acid (CHEBI:25384)
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509) is a organochlorine compound (CHEBI:36683)
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509) is a quinoxaline derivative (CHEBI:38771)
Incoming ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate (CHEBI:137937) has functional parent 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509)
(S)-quizalofop (CHEBI:137513) is a 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509)
quizalofop-P (CHEBI:137507) is a 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid (CHEBI:137509)
IUPAC Name
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
Synonym Source
2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acid ChEBI
Last Modified
18 July 2017
General Comment
2017-06-22 This is the entry for material with unspecified stereochemistry. There are separate entries for the racemate (quizalofop) and the individual enantiomers [(S)-quizalofop and quizalofop-P].