Basic information
- CAS
5344-55-8- Standard SMILES
CC(Cl)C(Cl)(Cl)C(=O)O- InChIKey
FAXJFVQAGPWKHQ-UHFFFAOYSA-N- Molecular formula
- C4H5Cl3O2
- Average molar mass
- 191.44 g/mol
- Monoisotopic mass
- 189.935512
Names & identifiers
- Preferred name
- 2,2,3-Trichlorobutanoic acid
- IUPAC
- 2,2,3-trichlorobutanoic acid
Names & synonyms
2,2,3-trichlorobutanoic acid5344-55-8DTXSID70277202RefChem:242777DTXCID20228360TrichlorbuttersaureNSC1131SCHEMBL17074132,3-TRICHLOROBUTYRIC ACIDNSC-1131NSC38389NSC-38389
Database identifiers
- CAS
5344-55-8- PubChem CID
- 219619
- DTXSID
DTXSID70277202
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 123
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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