1-Bromo-4,4,4-trichlorobutan-2-ol
Basic information
- CAS
56440-57-4- Standard SMILES
OC(CBr)CC(Cl)(Cl)Cl- InChIKey
KWQDAIFYOYNQBR-UHFFFAOYSA-N- Molecular formula
- C4H6BrCl3O
- Average molar mass
- 256.35 g/mol
- Monoisotopic mass
- 253.86676
Names & identifiers
- Preferred name
- 1-Bromo-4,4,4-trichlorobutan-2-ol
- IUPAC
- 1-bromo-4,4,4-trichlorobutan-2-ol
Names & synonyms
1-Bromo-4,4,4-trichlorobutan-2-ol56440-57-4SCHEMBL11713285DTXSID20614168
Database identifiers
- CAS
56440-57-4- PubChem CID
- 21453538
- DTXSID
DTXSID20614168
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 82.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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