ChemSpider 2D Image | 3-(4-Methylphenyl)-N-[3-(trifluoromethyl)phenyl]-2,1-benzoxazole-5-carboxamide | C22H15F3N2O2

3-(4-Methylphenyl)-N-[3-(trifluoromethyl)phenyl]-2,1-benzoxazole-5-carboxamide

  • Molecular FormulaC22H15F3N2O2
  • Average mass396.362 Da
  • Monoisotopic mass396.108551 Da
  • ChemSpider ID21914311

More details:

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

2,1-Benzisoxazole-5-carboxamide, 3-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-(4-Methylphenyl)-N-[3-(trifluormethyl)phenyl]-2,1-benzoxazol-5-carboxamid [German] [ACD/IUPAC Name]
3-(4-Methylphenyl)-N-[3-(trifluoromethyl)phenyl]-2,1-benzoxazole-5-carboxamide [ACD/IUPAC Name]
3-(4-Méthylphényl)-N-[3-(trifluorométhyl)phényl]-2,1-benzoxazole-5-carboxamide [French] [ACD/IUPAC Name]
3-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-2,1-benzisoxazole-5-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 465.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.5±28.7 °C
Index of Refraction: 1.623
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10102.69
ACD/KOC (pH 5.5): 25583.81
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10102.49
ACD/KOC (pH 7.4): 25583.30
Polar Surface Area: 55 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 293.5±3.0 cm3

Click to predict properties on the Chemicalize site


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