Basic information
- Standard SMILES
N#Cc1ccc(F)cc1-n1cncn1- InChIKey
SLYPQJYFAJTVLN-UHFFFAOYSA-N- Molecular formula
- C9H5FN4
- Average molar mass
- 188.16 g/mol
Names & identifiers
- Preferred name
- 4-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrile
- IUPAC
- 4-fluoro-2-(1,2,4-triazol-1-yl)benzonitrile
Names & synonyms
4-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrileSCHEMBL2076101SLYPQJYFAJTVLN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21069880
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Related reactions
8 records
Compound notes
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