1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole
Basic information
- CAS
10480-11-2- Standard SMILES
O=[N+]([O-])c1ccc(N2N=NCC2c2ccccc2)cc1- InChIKey
PUWUPGKGBRTMOT-UHFFFAOYSA-N- Molecular formula
- C14H12N4O2
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.09602564
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole
- IUPAC
- 1-(4-nitrophenyl)-5-phenyl-4,5-dihydrotriazole
- English name
- 1-(4-nitrophenyl)-5-phenyl-4,5-dihydrotriazole
- Molecular formula
- C14H12N4O2
- Molecular weight
- 268.27
Names & synonyms
1-(4-nitrophenyl)-5-phenyl-4,5-dihydrotriazole10480-11-21-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1h-1,2,3-triazoleNSC47426DTXSID00286766NSC-474261H-1,2,3-Triazole, 4,5-dihydro-1-(4-nitrophenyl)-5-phenyl-
Database identifiers
- CAS
10480-11-2- PubChem CID
- 240757
- DTXSID
DTXSID00286766
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Melting point
- 152 · 152-153 °C
- Boiling point
- 443.5 · 443.5±55.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -3.41 · -3.41±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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