EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:73963 - 2-chloroacrylic acid
| Formula | C3H3ClO2 |
| Net Charge | 0 |
| Average Mass | 106.508 |
| Monoisotopic Mass | 105.98216 |
| SMILES | C=C(Cl)C(=O)O |
| InChI | InChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6) |
| InChIKey | SZTBMYHIYNGYIA-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-chloroacrylic acid (CHEBI:73963) has functional parent acrylic acid (CHEBI:18308) |
| 2-chloroacrylic acid (CHEBI:73963) has role metabolite (CHEBI:25212) |
| 2-chloroacrylic acid (CHEBI:73963) is a chlorocarboxylic acid (CHEBI:36685) |
| 2-chloroacrylic acid (CHEBI:73963) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| 2-chloroacrylic acid (CHEBI:73963) is conjugate acid of 2-chloroacrylate (CHEBI:73935) |
| Incoming Relation(s) |
| 2-chloroacrylate (CHEBI:73935) is conjugate base of 2-chloroacrylic acid (CHEBI:73963) |
| IUPAC Name |
|---|
| 2-chloroprop-2-enoic acid |
| Synonyms | Source |
|---|---|
| 2-chloro-2-propenoic acid | ChemIDplus |
| α-chloroacrylic acid | ChEBI |
| Citations |
|---|