ChemSpider 2D Image | 1-{[2-(2,4-Difluorophenyl)(~2~H_2_)-2-oxiranyl](~2~H_2_)methyl}-1H-1,2,4-triazole | C11H5D4F2N3O

1-{[2-(2,4-Difluorophenyl)(2H2)-2-oxiranyl](2H2)methyl}-1H-1,2,4-triazole

  • Molecular FormulaC11H5D4F2N3O
  • Average mass241.230 Da
  • Monoisotopic mass241.096481 Da
  • ChemSpider ID58782613

  • Non-standard isotope - Non-standard isotope

More details:

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

1-{[2-(2,4-Difluorophenyl)(2H2)-2-oxiranyl](2H2)methyl}-1H-1,2,4-triazole [ACD/IUPAC Name]
1-{[2-(2,4-Difluorophényl)(2H2)-2-oxiranyl](2H2)méthyl}-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1-{[2-(2,4-Difluorphenyl)(2H2)-2-oxiranyl](2H2)methyl}-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)oxiranyl-3,3-d2]methyl-d2]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 370.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.9±30.7 °C
Index of Refraction: 1.625
Molar Refractivity: 57.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.71
ACD/KOC (pH 5.5): 105.39
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.72
ACD/KOC (pH 7.4): 105.71
Polar Surface Area: 43 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 162.1±7.0 cm3

Click to predict properties on the Chemicalize site


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