Basic information
- CAS
188854-65-1- Standard SMILES
O=C(C[C@H](O)C(Cl)(Cl)Cl)c1ccccc1- InChIKey
JTJFOKGHNOVCTC-VIFPVBQESA-N- Molecular formula
- C10H9Cl3O2
- Average molar mass
- 267.5 g/mol
- Monoisotopic mass
- 265.966813
Names & identifiers
- Preferred name
- 1-Butanone, 4,4,4-trichloro-3-hydroxy-1-phenyl-, (3S)-
- IUPAC
- (3S)-4,4,4-trichloro-3-hydroxy-1-phenylbutan-1-one
Names & synonyms
1-Butanone, 4,4,4-trichloro-3-hydroxy-1-phenyl-, (3S)-188854-65-1DTXSID50366683RefChem:228900DTXCID60317722(3S)-4,4,4-trichloro-3-hydroxy-1-phenylbutan-1-oneFEH8ZV636R(3S)-4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanone(S)-4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanon1-Butanone, 4,4,4-trichloro-3-hydroxy-1-phenyl-, (S)-4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanone, (3S)-
Database identifiers
- CAS
188854-65-1- PubChem CID
- 2135482
- DTXSID
DTXSID50366683- UNII
- FEH8ZV636R
- Nikkaji
- J813.320D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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