ChemSpider 2D Image | 7-Fluoro-5-phenyl-2-p-tolyl-3H-benzo[e][1,2,4]triazepine | C21H16FN3

7-Fluoro-5-phenyl-2-p-tolyl-3H-benzo[e][1,2,4]triazepine

  • Molecular FormulaC21H16FN3
  • Average mass329.370 Da
  • Monoisotopic mass329.132813 Da
  • ChemSpider ID17826411

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3H-1,3,4-Benzotriazepine, 7-fluoro-2-(4-methylphenyl)-5-phenyl- [ACD/Index Name]
7-Fluor-2-(4-methylphenyl)-5-phenyl-1H-1,3,4-benzotriazepin [German] [ACD/IUPAC Name]
7-Fluoro-2-(4-methylphenyl)-5-phenyl-1H-1,3,4-benzotriazepine [ACD/IUPAC Name]
7-Fluoro-2-(4-méthylphényl)-5-phényl-1H-1,3,4-benzotriazépine [French] [ACD/IUPAC Name]
7-Fluoro-5-phenyl-2-p-tolyl-3H-benzo[e][1,2,4]triazepine
7-FLUORO-2-(4-METHYLPHENYL)-5-PHENYL-3H-1,3,4-BENZOTRIAZEPINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 493.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.3±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 98.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3182.56
ACD/KOC (pH 5.5): 11181.61
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3192.19
ACD/KOC (pH 7.4): 11215.46
Polar Surface Area: 37 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 272.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement