ChemSpider 2D Image | 4-(4-Fluoro-1H-benzimidazol-2-yl)-1H-1,2,3-triazol-5-amine | C9H7FN6

4-(4-Fluoro-1H-benzimidazol-2-yl)-1H-1,2,3-triazol-5-amine

  • Molecular FormulaC9H7FN6
  • Average mass218.191 Da
  • Monoisotopic mass218.071625 Da
  • ChemSpider ID84268946

More details:

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

1H-1,2,3-Triazol-5-amine, 4-(4-fluoro-1H-benzimidazol-2-yl)- [ACD/Index Name]
4-(4-Fluor-1H-benzimidazol-2-yl)-1H-1,2,3-triazol-5-amin [German] [ACD/IUPAC Name]
4-(4-Fluoro-1H-benzimidazol-2-yl)-1H-1,2,3-triazol-5-amine [ACD/IUPAC Name]
4-(4-Fluoro-1H-benzimidazol-2-yl)-1H-1,2,3-triazol-5-amine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 595.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.1±32.9 °C
Index of Refraction: 1.796
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 44.76
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 43.87
Polar Surface Area: 96 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 102.7±3.0 dyne/cm
Molar Volume: 131.6±3.0 cm3

Click to predict properties on the Chemicalize site


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