Basic information
- Standard SMILES
CC(=O)c1ccc(C(C)(C)C)cc1Br- InChIKey
XYVLYQOBKLEWKO-UHFFFAOYSA-N- Molecular formula
- C12H15BrO
- Average molar mass
- 255.15 g/mol
- Monoisotopic mass
- 254.03063
Names & identifiers
- Preferred name
- 1-(4-Tert-butyl-2-bromophenyl)ethanone
- IUPAC
- 1-(2-bromo-4-tert-butylphenyl)ethanone
Names & synonyms
147438-85-51-(2-bromo-4-tert-butylphenyl)ethanone1-(4-tert-butyl-2-bromophenyl)ethanoneSCHEMBL4791192XYVLYQOBKLEWKO-UHFFFAOYSA-NDB-201074
Database identifiers
- PubChem CID
- 11097153
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Related reactions
2 records
Compound notes
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