ChemSpider 2D Image | 1-[1-(Difluoromethyl)-1H-benzimidazol-2-yl]ethyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate | C20H16ClF2N5O2

1-[1-(Difluoromethyl)-1H-benzimidazol-2-yl]ethyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC20H16ClF2N5O2
  • Average mass431.823 Da
  • Monoisotopic mass431.096069 Da
  • ChemSpider ID31523521

More details:

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

1-(4-Chlorophényl)-5-méthyl-1H-1,2,4-triazole-3-carboxylate de 1-[1-(difluorométhyl)-1H-benzimidazol-2-yl]éthyle [French] [ACD/IUPAC Name]
1-[1-(Difluormethyl)-1H-benzimidazol-2-yl]ethyl-1-(4-chlorphenyl)-5-methyl-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]
1-[1-(Difluoromethyl)-1H-benzimidazol-2-yl]ethyl 1-(4-chlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-, 1-[1-(difluoromethyl)-1H-benzimidazol-2-yl]ethyl ester [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: 592.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 312.1±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2205.24
ACD/KOC (pH 5.5): 8605.95
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2206.00
ACD/KOC (pH 7.4): 8608.92
Polar Surface Area: 75 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 293.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement