Basic information
- CAS
32817-81-5- Standard SMILES
CC(O)C(O)C(Cl)(Cl)Cl- InChIKey
JUELTGCZCZPHPX-UHFFFAOYSA-N- Molecular formula
- C4H7Cl3O2
- Average molar mass
- 193.45 g/mol
- Monoisotopic mass
- 191.951163
Names & identifiers
- Preferred name
- 1,1,1-Trichlorobutane-2,3-diol
- IUPAC
- 1,1,1-trichlorobutane-2,3-diol
Names & synonyms
1,1,1-trichlorobutane-2,3-diol32817-81-5DTXSID60954474RefChem:1051663DTXCID4013824932,3-BUTANEDIOL, 1,1,1-TRICHLORO-, threo-threo-1,1,1-Trichloro-2,3-butanediolerythro-1,1,1-Trichloro-2,3-butanediol2,3-BUTANEDIOL, 1,1,1-TRICHLORO-, erythro-SCHEMBL737854732817-82-6
Database identifiers
- CAS
32817-81-5、32817-82-6- PubChem CID
- 36243
- DTXSID
DTXSID60954474
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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