CHEBI:1808 - (4-chlorophenoxy)acetic acid

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ChEBI Name (4-chlorophenoxy)acetic acid
ChEBI ID CHEBI:1808
Definition A chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H7ClO3
Net Charge 0
Average Mass 186.59208
Monoisotopic Mass 186.008
InChI InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey SODPIMGUZLOIPE-UHFFFAOYSA-N
SMILES OC(=O)COc1ccc(Cl)cc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing (4-chlorophenoxy)acetic acid (CHEBI:1808) has role herbicide (CHEBI:24527)
(4-chlorophenoxy)acetic acid (CHEBI:1808) is a chlorophenoxyacetic acid (CHEBI:23152)
(4-chlorophenoxy)acetic acid (CHEBI:1808) is a monochlorobenzenes (CHEBI:83403)
(4-chlorophenoxy)acetic acid (CHEBI:1808) is conjugate acid of (4-chlorophenoxy)acetate (CHEBI:28739)
Incoming (4-chlorophenoxy)acetate (CHEBI:28739) is conjugate base of (4-chlorophenoxy)acetic acid (CHEBI:1808)
IUPAC Name
(4-chlorophenoxy)acetic acid
Synonyms Sources
(p-chlorophenoxy)acetic acid NIST Chemistry WebBook
4-Chlorophenoxyacetate KEGG COMPOUND
4-chlorophenoxyacetic acid NIST Chemistry WebBook
4-Chlorphenoxyessigsäure ChEBI
4-CPA KEGG COMPOUND
4-CPA ChemIDplus
para-chlorophenoxyacetic acid NIST Chemistry WebBook
Database Links Databases
4-Chlorophenoxyacetic_acid Wikipedia
C07088 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1211804 Beilstein Registry Number ChemIDplus
1211804 Reaxys Registry Number Reaxys
122-88-3 CAS Registry Number NIST Chemistry WebBook
122-88-3 CAS Registry Number ChemIDplus
397082 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
11523589 PubMed citation Europe PMC
17215075 PubMed citation Europe PMC
Last Modified
23 October 2014