Basic information
- Standard SMILES
CC(C)(C)C(=O)c1ccc(CBr)cc1- InChIKey
SNLNKUQSMCQSJL-UHFFFAOYSA-N- Molecular formula
- C12H15BrO
- Average molar mass
- 255.15 g/mol
- Monoisotopic mass
- 254.0306272
Names & identifiers
- Preferred name
- 1-[4-(Bromomethyl)phenyl]-2,2-dimethylpropan-1-one
- IUPAC
- 1-[4-(bromomethyl)phenyl]-2,2-dimethylpropan-1-one
Names & synonyms
52449-32-81-[4-(Bromomethyl)phenyl]-2,2-dimethylpropan-1-one1-(4-(bromomethyl)phenyl)-2,2-dimethylpropan-1-one1-Propanone, 1-[4-(bromomethyl)phenyl]-2,2-dimethyl-alpha-bromo-p-pivaloyl toluenealpha-bromo-4-pivaloyl tolueneSCHEMBL2574286DTXSID30510980SNLNKUQSMCQSJL-UHFFFAOYSA-N1-(4-bromomethylphenyl)-2,2-dimethylpropan-1-one
Database identifiers
- CAS
52449-32-8- PubChem CID
- 12831007
- DTXSID
DTXSID30510980
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Related reactions
31 records
Linked notes
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