Basic information
- Standard SMILES
N#Cc1cc(CBr)cc(C(F)(F)F)c1- InChIKey
XPUXNYPZDDSUDQ-UHFFFAOYSA-N- Molecular formula
- C9H5BrF3N
- Average molar mass
- 264.04 g/mol
- Monoisotopic mass
- 262.95574592
Names & identifiers
- Preferred name
- 3-(Bromomethyl)-5-(trifluoromethyl)benzonitrile
- IUPAC
- 3-(bromomethyl)-5-(trifluoromethyl)benzonitrile
Names & synonyms
3-(bromomethyl)-5-(trifluoromethyl)benzonitrile669080-79-9Benzonitrile, 3-(bromomethyl)-5-(trifluoromethyl)-SCHEMBL130428SCHEMBL29812995DTXSID304692823-bromomethyl-5-trifluoromethylbenzonitrile3-Cyano-5-(trifluoromethyl)benzyl bromideDB-2038553-bromomethyl-5-trifluoromethyl-benzonitrile
Database identifiers
- CAS
669080-79-9- PubChem CID
- 11601369
- DTXSID
DTXSID30469282
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Related reactions
16 records
Linked notes
Loading…