CHEBI:393747 - 3,4-dichlorophenoxyacetic acid

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ChEBI Name 3,4-dichlorophenoxyacetic acid
ChEBI ID CHEBI:393747
Definition A chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H6Cl2O3
Net Charge 0
Average Mass 221.03700
Monoisotopic Mass 219.96940
InChI InChI=1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey SNYRXHULAWEECU-UHFFFAOYSA-N
SMILES OC(=O)COc1ccc(Cl)c(Cl)c1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): phenoxy herbicide
Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
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ChEBI Ontology
Outgoing 3,4-dichlorophenoxyacetic acid (CHEBI:393747) has role phenoxy herbicide (CHEBI:60575)
3,4-dichlorophenoxyacetic acid (CHEBI:393747) is a chlorophenoxyacetic acid (CHEBI:23152)
IUPAC Name
(3,4-dichlorophenoxy)acetic acid
Synonym Source
3,4-DA ChemIDplus
Registry Numbers Types Sources
1969638 Reaxys Registry Number Reaxys
588-22-7 CAS Registry Number ChemIDplus
Last Modified
18 November 2019