Basic information
- Standard SMILES
Cn1nnc2ccc(C(Br)c3ccccc3)cc21- InChIKey
YWHRLXVJWKUOPJ-UHFFFAOYSA-N- Molecular formula
- C14H12BrN3
- Average molar mass
- 302.17 g/mol
Names & identifiers
- Preferred name
- 6-[Bromo(phenyl)methyl]-1-methylbenzotriazole
- IUPAC
- 6-[bromo(phenyl)methyl]-1-methylbenzotriazole
Database identifiers
- PubChem CID
- 54530688
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
1 records
Compound notes
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