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CHEBI:23123 - chloroacetate

ChEBI IDCHEBI:23123
ChEBI Namechloroacetate
Stars
DefinitionA haloacetate(1−) resulting from the deprotonation of the carboxy group of chloroacetic acid.
Last Modified5 May 2015
DownloadsMolfile
FormulaC2H2ClO2
Net Charge-1
Average Mass93.489
Monoisotopic Mass92.97488
SMILESO=C([O-])CCl
InChIInChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1
InChIKeyFOCAUTSVDIKZOP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
chloroacetate (CHEBI:23123) has functional parent acetate (CHEBI:30089)
chloroacetate (CHEBI:23123) is a haloacetate(1−) (CHEBI:85638)
chloroacetate (CHEBI:23123) is conjugate base of chloroacetic acid (CHEBI:27869)
Incoming Relation(s)
chloroacetic acid (CHEBI:27869) is conjugate acid of chloroacetate (CHEBI:23123)
IUPAC Name 
chloroacetate
Synonyms  Source
mono-chloroacetateChEBI
chloroacetate anionChEBI
monochloroacetate anionChEBI
monochloroacetic acid anionChEBI
chloroacetate(1−)ChEBI
Chloroacetic acid ion(1-)ChEBI
UniProt Name  Source
chloroacetateUniProt
Manual XrefsDatabases
c0007UM-BBD
CHLOROACETIC-ACIDMetaCyc
Registry NumbersSources
Reaxys:1903575Reaxys
CAS:14526-03-5ChemIDplus