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CHEBI:27869 - chloroacetic acid

ChEBI IDCHEBI:27869
ChEBI Namechloroacetic acid
Stars
DefinitionA chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.
Secondary ChEBI IDsCHEBI:3622, CHEBI:23125
Last Modified2 June 2017
DownloadsMolfile

FormulaC2H3ClO2
Net Charge0
Average Mass94.497
Monoisotopic Mass93.98216
SMILESO=C(O)CCl
InChIInChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKeyFOCAUTSVDIKZOP-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
chloroacetic acid
Synonyms  Source
Chloroacetic acidKEGG COMPOUND
Chloroethanoic acidKEGG COMPOUND
chloracetic acidNIST Chemistry WebBook
monochloroethanoic acidNIST Chemistry WebBook
monochloroacetic acidNIST Chemistry WebBook
α-chloro-acetic acidChEBI
Manual XrefsDatabases
C06755KEGG COMPOUND
D07677KEGG DRUG
CHLOROACETIC-ACIDMetaCyc
HMDB0031331HMDB
LMFA01090068LIPID MAPS
R3WPDBeChem
monochloroacetic%20acidAlan Wood's Pesticides
Registry NumbersSources
Reaxys:605438Reaxys
CAS:79-11-8KEGG COMPOUND
CAS:79-11-8ChemIDplus
CAS:79-11-8NIST Chemistry WebBook
Citations