Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(-c2ncnn2-c2ccccc2F)cc1- InChIKey
WJCIOVKMCCIDFV-UHFFFAOYSA-N- Molecular formula
- C14H9FN4O2
- Average molar mass
- 284.24 g/mol
Names & identifiers
- Preferred name
- 1-(o-Fluorophenyl)-5-(p-nitrophenyl)-1H-1,2,4-triazole
- IUPAC
- 1-(2-fluorophenyl)-5-(4-nitrophenyl)-1,2,4-triazole
Names & synonyms
SCHEMBL11293397WJCIOVKMCCIDFV-UHFFFAOYSA-N1-(o-Fluorophenyl)-5-(p-nitrophenyl)-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 23469722
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
2 records
Compound notes
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