Basic information
- CAS
34848-27-6- Standard SMILES
CC(C(O)c1ccccc1)C(O)(C(F)(F)Cl)C(F)(F)Cl- InChIKey
ZAOABIPUJDDYHX-UHFFFAOYSA-N- Molecular formula
- C12H12Cl2F4O2
- Average molar mass
- 335.12 g/mol
- Monoisotopic mass
- 334.0150477
Names & identifiers
- Preferred name
- 1,3-Butanediol, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-2-methyl-1-phenyl-
- IUPAC
- 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-2-methyl-1-phenylbutane-1,3-diol
Names & synonyms
NSC 162157BRN 199372934848-27-64-Chloro-3-(chlorodifluoromethyl)-4,4-difluoro-2-methyl-1-phenyl-1,3-butanediol1,3-Butanediol, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-2-methyl-1-phenyl-RefChem:218159NSC162157DTXSID00956331NSC-1621574-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-2-methyl-1-phenylbutane-1,3-diol4-Chloro-3-[chlorodi(fluoro)methyl]-4,4-difluoro-2-methyl-1-phenylbutane-1,3-diol
Database identifiers
- CAS
34848-27-6- PubChem CID
- 36957
- DTXSID
DTXSID00956331- Nikkaji
- J64.626A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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