2-[Bromo(4-chlorophenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
Basic information
- CAS
15982-12-4- Standard SMILES
CC1(C)C=C(C(Br)c2ccc(Cl)cc2)C(=O)c2ccccc21- InChIKey
BDYNSETUNJKRQN-UHFFFAOYSA-N- Molecular formula
- C19H16BrClO
- Average molar mass
- 375.7 g/mol
- Monoisotopic mass
- 374.00731
Names & identifiers
- Preferred name
- 2-[Bromo(4-chlorophenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
- IUPAC
- 2-[bromo-(4-chlorophenyl)methyl]-4,4-dimethylnaphthalen-1-one
Names & synonyms
15982-12-42-[bromo(4-chlorophenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-oneNSC150338DTXSID10302345NSC-150338
Database identifiers
- CAS
15982-12-4- PubChem CID
- 288960
- DTXSID
DTXSID10302345
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…