Basic information
- CAS
56578-54-2- Standard SMILES
CC(C)(C)C(=O)C=Cc1ccc(Br)cc1- InChIKey
PTEHJUKNDHZQIF-UHFFFAOYSA-N- Molecular formula
- C13H15BrO
- Average molar mass
- 267.16 g/mol
- Monoisotopic mass
- 266.03063
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-4,4-dimethylpent-1-en-3-one
- IUPAC
- 1-(4-bromophenyl)-4,4-dimethylpent-1-en-3-one
Names & synonyms
1-(4-bromophenyl)-4,4-dimethylpent-1-en-3-one56578-54-2DTXSID80327181
Database identifiers
- CAS
56578-54-2- PubChem CID
- 367192
- DTXSID
DTXSID80327181
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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