Basic information
- Standard SMILES
N#Cc1ccc(CBr)cc1N- InChIKey
YZEBGNGDCBBEIE-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-(bromomethyl)benzonitrile
- IUPAC
- 2-amino-4-(bromomethyl)benzonitrile
Names & synonyms
2-amino-4-(bromomethyl)benzonitrile251936-85-3SCHEMBL4387962YZEBGNGDCBBEIE-UHFFFAOYSA-N2-amino-4-bromomethyl-benzonitrileDB-181971
Database identifiers
- PubChem CID
- 21708486
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Related reactions
3 records
Compound notes
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