Basic information
- Standard SMILES
O=Cc1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl- InChIKey
NIESJAYTBNPBMI-UHFFFAOYSA-N- Molecular formula
- C12H6ClF6N3O
- Average molar mass
- 357.64 g/mol
Names & identifiers
- Preferred name
- 1-(3,5-bis-trifluoromethyl-benzyl)-5-chloro-1H-[1,2,3]triazole-4-carbaldehyde
- IUPAC
- 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chlorotriazole-4-carbaldehyde
Names & synonyms
1-(3,5-bis-trifluoromethyl-benzyl)-5-chloro-1H-[1,2,3]triazole-4-carbaldehydeSCHEMBL4638624
Database identifiers
- PubChem CID
- 86601211
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
2 records
Compound notes
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