ChemSpider 2D Image | 1-[4-(Difluoromethoxy)benzyl]-1H-1,2,4-triazole | C10H9F2N3O

1-[4-(Difluoromethoxy)benzyl]-1H-1,2,4-triazole

  • Molecular FormulaC10H9F2N3O
  • Average mass225.195 Da
  • Monoisotopic mass225.071365 Da
  • ChemSpider ID30471424

More details:

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

1-[4-(Difluormethoxy)benzyl]-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-[4-(Difluoromethoxy)benzyl]-1H-1,2,4-triazole [ACD/IUPAC Name]
1-[4-(Difluorométhoxy)benzyl]-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[[4-(difluoromethoxy)phenyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 357.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 169.9±30.7 °C
Index of Refraction: 1.561
Molar Refractivity: 54.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.50
ACD/KOC (pH 5.5): 132.82
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 133.12
Polar Surface Area: 40 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 169.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement