Basic information
- Standard SMILES
CC(C(=O)Cl)c1ccc(Br)cc1- InChIKey
OTVSGUXUQHZGNR-UHFFFAOYSA-N- Molecular formula
- C9H8BrClO
- Average molar mass
- 247.51 g/mol
- Monoisotopic mass
- 245.94471
Names & identifiers
- Preferred name
- Propanoyl chloride, 2-(4-bromophenyl)-
- IUPAC
- 2-(4-bromophenyl)propanoyl chloride
Names & synonyms
SCHEMBL22918642-(4-Bromo-phenyl)-propionyl chloride2-(4-Bromophenyl)propanoyl chloride #Propanoyl chloride, 2-(4-bromophenyl)-
Database identifiers
- PubChem CID
- 569060
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Related reactions
6 records
Compound notes
Loading…