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CHEBI:19982 - 3-chloroacrylic acid

ChEBI IDCHEBI:19982
ChEBI Name3-chloroacrylic acid
Stars
DefinitionA chlorocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is substituted by chlorine.
Secondary ChEBI IDCHEBI:62082
Last Modified28 July 2014
Submitterhdrabkin
DownloadsMolfile
FormulaC3H3ClO2
Net Charge0
Average Mass106.508
Monoisotopic Mass105.98216
SMILES[H]C(=CCl)C(=O)O
InChIInChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)
InChIKeyMHMUCYJKZUZMNJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-chloroacrylic acid (CHEBI:19982) has functional parent acrylic acid (CHEBI:18308)
3-chloroacrylic acid (CHEBI:19982) is a chlorocarboxylic acid (CHEBI:36685)
3-chloroacrylic acid (CHEBI:19982) is a monocarboxylic acid (CHEBI:25384)
3-chloroacrylic acid (CHEBI:19982) is conjugate acid of 3-chloroacrylate (CHEBI:62074)
Incoming Relation(s)
trans-3-chloroacrylic acid (CHEBI:28404) is a 3-chloroacrylic acid (CHEBI:19982)
cis-3-Chloroacrylic acid (CHEBI:27397) is a 3-chloroacrylic acid (CHEBI:19982)
3-chloroacrylate (CHEBI:62074) is conjugate base of 3-chloroacrylic acid (CHEBI:19982)
IUPAC Name 
3-chloroprop-2-enoic acid
Synonyms  Source
3-chloro-2-propenoic acidsChEBI
3-chloroacrylic acidsChEBI
Manual XrefsDatabases
C06614KEGG COMPOUND
Registry NumbersSources
Reaxys:14713319Reaxys
CAS:2345-61-1KEGG COMPOUND