ChemSpider 2D Image | Methyl 1-[(1-ethyl-4-fluoro-1H-benzimidazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate | C14H14FN5O2

Methyl 1-[(1-ethyl-4-fluoro-1H-benzimidazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC14H14FN5O2
  • Average mass303.292 Da
  • Monoisotopic mass303.113159 Da
  • ChemSpider ID30212906

More details:

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

1-[(1-Éthyl-4-fluoro-1H-benzimidazol-2-yl)méthyl]-1H-1,2,4-triazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxylic acid, 1-[(1-ethyl-4-fluoro-1H-benzimidazol-2-yl)methyl]-, methyl ester [ACD/Index Name]
Methyl 1-[(1-ethyl-4-fluoro-1H-benzimidazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
Methyl-1-[(1-ethyl-4-fluor-1H-benzimidazol-2-yl)methyl]-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.2±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±31.8 °C
Index of Refraction: 1.655
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.57
ACD/KOC (pH 5.5): 174.79
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.68
ACD/KOC (pH 7.4): 176.69
Polar Surface Area: 75 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 213.1±7.0 cm3

Click to predict properties on the Chemicalize site


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