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CHEBI:1808 - (4-chlorophenoxy)acetic acid

Default Structure
ChEBI IDCHEBI:1808
ChEBI Name(4-chlorophenoxy)acetic acid
Stars
DefinitionA chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4.
Last Modified18 November 2019
DownloadsMolfile
FormulaC8H7ClO3
Net Charge0
Average Mass186.594
Monoisotopic Mass186.00837
SMILESO=C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeySODPIMGUZLOIPE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
phenoxy herbicide  Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
ChEBI Ontology
Outgoing Relation(s)
(4-chlorophenoxy)acetic acid (CHEBI:1808) has role phenoxy herbicide (CHEBI:60575)
(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 Relation(s)
(4-chlorophenoxy)acetate (CHEBI:28739) is conjugate base of (4-chlorophenoxy)acetic acid (CHEBI:1808)
IUPAC Name 
(4-chlorophenoxy)acetic acid
Synonyms  Source
4-ChlorophenoxyacetateKEGG COMPOUND
4-chlorophenoxyacetic acidNIST Chemistry WebBook
4-ChlorphenoxyessigsäureChEBI
4-CPAChemIDplus
4-CPAKEGG COMPOUND
para-chlorophenoxyacetic acidNIST Chemistry WebBook
Manual XrefsDatabases
4-Chlorophenoxyacetic_acidWikipedia
7PPDB
C07088KEGG COMPOUND
Registry NumbersSources
Reaxys:1211804Reaxys
Gmelin:397082Gmelin
CAS:122-88-3KEGG COMPOUND
CAS:122-88-3NIST Chemistry WebBook
CAS:122-88-3ChemIDplus
Citations