Basic information
- CAS
67249-03-0- Standard SMILES
COC(=O)c1ccc(C=Cc2ccc(Br)cc2)cc1- InChIKey
HBSABNZEDAUSDJ-UHFFFAOYSA-N- Molecular formula
- C16H13BrO2
- Average molar mass
- 317.18 g/mol
- Monoisotopic mass
- 316.00989
Names & identifiers
- Preferred name
- Methyl 4-[2-(4-bromophenyl)ethenyl]benzoate
- IUPAC
- methyl 4-[2-(4-bromophenyl)ethenyl]benzoate
Names & synonyms
methyl 4-[2-(4-bromophenyl)ethenyl]benzoateSCHEMBL2350832DTXSID80126133467249-03-0
Database identifiers
- CAS
67249-03-0- PubChem CID
- 458209
- DTXSID
DTXSID801261334
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…