Basic information
- Standard SMILES
Cc1nn(-c2ccc(F)cc2F)[n+]([O-])c1C- InChIKey
CWLLEDIVQHBXRV-UHFFFAOYSA-N- Molecular formula
- C10H9F2N3O
- Average molar mass
- 225.19 g/mol
Names & identifiers
- Preferred name
- 2-(2,4-difluorophenyl)-4,5-dimethyl-2H-1,2,3-triazole 1-oxide
- IUPAC
- 2-(2,4-difluorophenyl)-4,5-dimethyl-1-oxidotriazol-1-ium
Names & synonyms
SCHEMBL15658042CWLLEDIVQHBXRV-UHFFFAOYSA-N2-(2,4-difluorophenyl)-4,5-dimethyl-2H-1,2,3-triazole 1-oxide
Database identifiers
- PubChem CID
- 90109810
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
2 records
Compound notes
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