Basic information
- CAS
117238-62-7- Standard SMILES
O=C(CBr)c1ccc(C=Cc2ccccc2)cc1- InChIKey
AFWXSUJZZKLOBB-UHFFFAOYSA-N- Molecular formula
- C16H13BrO
- Average molar mass
- 301.18 g/mol
- Monoisotopic mass
- 300.01498
Names & identifiers
- Preferred name
- 2-Bromo-1-[4-(2-phenylethenyl)phenyl]ethanone
- IUPAC
- 2-bromo-1-[4-(2-phenylethenyl)phenyl]ethanone
Names & synonyms
DTXSID5012527682-Bromo-1-[4-(2-phenylethenyl)phenyl]ethanone2-Bromo-1-[4-(2-phenylethenyl)phenyl]ethan-1-one117238-62-7
Database identifiers
- CAS
117238-62-7- PubChem CID
- 85568574
- DTXSID
DTXSID501252768
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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