Basic information
- CAS
78315-42-1- Standard SMILES
OC(CC(O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1- InChIKey
BTGXADDAKCZREK-UHFFFAOYSA-N- Molecular formula
- C10H10Cl4O2
- Average molar mass
- 304 g/mol
- Monoisotopic mass
- 301.94349
Names & identifiers
- Preferred name
- 4,4,4-Trichloro-1-(4-chlorophenyl)butane-1,3-diol
- IUPAC
- 4,4,4-trichloro-1-(4-chlorophenyl)butane-1,3-diol
Names & synonyms
78315-42-1SCHEMBL11250544DTXSID6010339694,4,4-trichloro-1-(4-chlorophenyl)butane-1,3-diol1,3-Butanediol, 4,4,4-trichloro-1-(4-chlorophenyl)-
Database identifiers
- CAS
78315-42-1- PubChem CID
- 20536701
- DTXSID
DTXSID601033969
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…