alpha,beta-Dichloroacrylic acid
Basic information
- CAS
13167-36-7- Standard SMILES
O=C(O)C(Cl)=CCl- InChIKey
YQYHCJZVJNOGBP-UHFFFAOYSA-N- Molecular formula
- C3H2Cl2O2
- Average molar mass
- 140.95 g/mol
- Monoisotopic mass
- 139.9431847
Names & identifiers
- Preferred name
- alpha,beta-Dichloroacrylic acid
- IUPAC
- 2,3-dichloroprop-2-enoic acid
Names & synonyms
2,3-dichloroprop-2-enoic acidalpha,beta-Dichloroacrylic acid13167-36-72,3-Dichloropropenoic acid2,3-dichloro propenoic acidSCHEMBL988366SCHEMBL1178283DTXSID7021578DAA53368
Database identifiers
- CAS
13167-36-7- PubChem CID
- 57476
- DTXSID
DTXSID7021578
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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