Basic information
- CAS
222978-04-3- Standard SMILES
N#Cc1ccc(Cn2ccnc2)cc1F- InChIKey
LNHWYZVYRSOSAT-UHFFFAOYSA-N- Molecular formula
- C11H8FN3
- Average molar mass
- 201.2 g/mol
- Monoisotopic mass
- 201.07022548
Names & identifiers
- Preferred name
- Benzonitrile, 2-fluoro-4-(1H-imidazol-1-ylmethyl)-
- IUPAC
- 2-fluoro-4-(imidazol-1-ylmethyl)benzonitrile
Names & synonyms
222978-04-3Benzonitrile, 2-fluoro-4-(1H-imidazol-1-ylmethyl)-2-Fluoro-4-[(1H-imidazol-1-yl)methyl]benzonitrile2-FLUORO-4-(IMIDAZOL-1-YLMETHYL)BENZONITRILESCHEMBL7184602DTXSID30617049LNHWYZVYRSOSAT-UHFFFAOYSA-NAKOS0306417142-Fluoro-4-imidazol-1-ylmethyl-benzonitrileZ1838395302
Database identifiers
- CAS
222978-04-3- PubChem CID
- 21697068
- DTXSID
DTXSID30617049
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
6 records
Compound notes
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