Basic information
- Standard SMILES
O=C(Cl)CC(CBr)Cc1ccccc1- InChIKey
AEQSNVSJMRVULT-UHFFFAOYSA-N- Molecular formula
- C11H12BrClO
- Average molar mass
- 275.57 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-4-bromo-butyryl chloride
- IUPAC
- 3-benzyl-4-bromobutanoyl chloride
Names & synonyms
SCHEMBL5238847AEQSNVSJMRVULT-UHFFFAOYSA-N3-benzyl-4-bromo-butyryl chloride
Database identifiers
- PubChem CID
- 21992929
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Related reactions
4 records
Compound notes
Loading…