Basic information
- Standard SMILES
O=C(O)c1ccc(CC=Cc2ccccc2Br)cc1- InChIKey
BHYWJXSTNHBJSN-UHFFFAOYSA-N- Molecular formula
- C16H13BrO2
- Average molar mass
- 317.18 g/mol
- Monoisotopic mass
- 316.00989
Names & identifiers
- Preferred name
- 4-[3-(2-Bromophenyl)prop-2-en-1-yl]benzoic acid
- IUPAC
- 4-[3-(2-bromophenyl)prop-2-enyl]benzoic acid
Names & synonyms
SCHEMBL6258286BHYWJXSTNHBJSN-UHFFFAOYSA-N4-[3-(2-bromophenyl)prop-2-en-1-yl]benzoic acid
Database identifiers
- PubChem CID
- 53683017
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
4 records
Compound notes
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