5-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole
Basic information
- CAS
64214-94-4- Standard SMILES
FC(F)(F)c1cccc(-n2nncc2-c2ccc(Cl)cc2)c1- InChIKey
MWFANZLMGUYJDR-UHFFFAOYSA-N- Molecular formula
- C15H9ClF3N3
- Average molar mass
- 323.7 g/mol
- Monoisotopic mass
- 323.0437095
Names & identifiers
- Preferred name
- 5-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole
- IUPAC
- 5-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]triazole
Names & synonyms
64214-94-4NSC184839DTXSID403069925-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazoleNSC-184839
Database identifiers
- CAS
64214-94-4- PubChem CID
- 302170
- DTXSID
DTXSID40306992
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
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Compound notes
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