Basic information
- Standard SMILES
CC[C@H](C)COc1ccc(Br)cc1C#N- InChIKey
DZUPIUKUCDYYCA-VIFPVBQESA-N- Molecular formula
- C12H14BrNO
- Average molar mass
- 268.15 g/mol
Names & identifiers
- Preferred name
- (S)-(+)-5-Bromo-2-(2-methylbutyloxy)benzonitrile
- IUPAC
- 5-bromo-2-[(2S)-2-methylbutoxy]benzonitrile
Names & synonyms
SCHEMBL7695663DZUPIUKUCDYYCA-VIFPVBQESA-N(S)-(+)-5-Bromo-2-(2-methylbutyloxy)benzonitrile
Database identifiers
- PubChem CID
- 53787839
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
6 records
Compound notes
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