Basic information
- CAS
19078-73-0- Standard SMILES
O=C(O)C=C(Br)c1ccccc1- InChIKey
UPZBDEYHZXRSBQ-UHFFFAOYSA-N- Molecular formula
- C9H7BrO2
- Average molar mass
- 227.05 g/mol
- Monoisotopic mass
- 225.96294
Names & identifiers
- Preferred name
- 3-Bromo-3-phenylacrylic acid
- IUPAC
- 3-bromo-3-phenylprop-2-enoic acid
Names & synonyms
BROMOCINNAMICACID3-Bromo-3-phenylacrylic acid2-Propenoic acid, 3-bromo-3-phenyl-SCHEMBL2919973DS-0136662-Propenoic acid,3-bromo-3-phenyl-, (e)-(9ci)
Database identifiers
- CAS
19078-73-0- PubChem CID
- 263143
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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