Basic information
- CAS
66799-44-8- Standard SMILES
CC(CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
UORMYKLQVWZZHA-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2O
- Average molar mass
- 293.2 g/mol
- Monoisotopic mass
- 292.0421705
Names & identifiers
- Preferred name
- 1,3-Bis(4-chlorophenyl)-1-butanone
- IUPAC
- 1,3-bis(4-chlorophenyl)butan-1-one
Names & synonyms
66799-44-81,3-Bis(4-chlorophenyl)-1-butanone1,3-bis(4-chlorophenyl)butan-1-oneDTXSID5010356551-Butanone, 1,3-bis(4-chlorophenyl)-
Database identifiers
- CAS
66799-44-8- PubChem CID
- 522228
- DTXSID
DTXSID501035655
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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