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CHEBI:28739 - (4-chlorophenoxy)acetate

Default Structure
ChEBI IDCHEBI:28739
ChEBI Name(4-chlorophenoxy)acetate
Stars
Secondary ChEBI IDCHEBI:20341
Last Modified17 June 2024
DownloadsMolfile
FormulaC8H6ClO3
Net Charge-1
Average Mass185.586
Monoisotopic Mass185.00110
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)/p-1
InChIKeySODPIMGUZLOIPE-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
(4-chlorophenoxy)acetate (CHEBI:28739) is a chlorophenoxyacetate anion (CHEBI:23151)
(4-chlorophenoxy)acetate (CHEBI:28739) is conjugate base of (4-chlorophenoxy)acetic acid (CHEBI:1808)
Incoming Relation(s)
(4-chlorophenoxy)acetic acid (CHEBI:1808) is conjugate acid of (4-chlorophenoxy)acetate (CHEBI:28739)
IUPAC Name 
(4-chlorophenoxy)acetate
Synonym  Source
4-chlorophenoxyacetateUM-BBD
UniProt Name  Source
(4-chlorophenoxy)acetateUniProt
Manual XrefsDatabases
c0294UM-BBD
Registry NumbersSources
Beilstein:3953518Beilstein
Gmelin:397081Gmelin