Basic information
- Standard SMILES
Cc1c(CBr)ccc(C#N)c1Cl- InChIKey
BIPSUKMSQQMYEZ-UHFFFAOYSA-N- Molecular formula
- C9H7BrClN
- Average molar mass
- 244.51 g/mol
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-2-chloro-3-methylbenzonitrile
- IUPAC
- 4-(bromomethyl)-2-chloro-3-methylbenzonitrile
Names & synonyms
4-(Bromomethyl)-2-chloro-3-methylbenzonitrileSCHEMBL3274491BIPSUKMSQQMYEZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68577413
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Related reactions
5 records
Compound notes
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