ChemSpider 2D Image | 1-(2-Cyanophenyl)-1H-1,2,4-triazole-3-carbonitrile | C10H5N5

1-(2-Cyanophenyl)-1H-1,2,4-triazole-3-carbonitrile

  • Molecular FormulaC10H5N5
  • Average mass195.180 Da
  • Monoisotopic mass195.054489 Da
  • ChemSpider ID34467115

More details:

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

1-(2-Cyanophenyl)-1H-1,2,4-triazole-3-carbonitrile [ACD/IUPAC Name]
1-(2-Cyanophényl)-1H-1,2,4-triazole-3-carbonitrile [French] [ACD/IUPAC Name]
1-(2-Cyanphenyl)-1H-1,2,4-triazol-3-carbonitril [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carbonitrile, 1-(2-cyanophenyl)- [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: 453.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.1±29.3 °C
Index of Refraction: 1.689
Molar Refractivity: 57.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 52.77
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 52.77
Polar Surface Area: 78 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 150.3±7.0 cm3

Click to predict properties on the Chemicalize site


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