ChemSpider 2D Image | 2-(2H-Tetrazol-2-ylmethyl)benzonitrile | C9H7N5

2-(2H-Tetrazol-2-ylmethyl)benzonitrile

  • Molecular FormulaC9H7N5
  • Average mass185.185 Da
  • Monoisotopic mass185.070145 Da
  • ChemSpider ID21119652

More details:

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

2-(2H-Tetrazol-2-ylmethyl)benzonitril [German] [ACD/IUPAC Name]
2-(2H-Tetrazol-2-ylmethyl)benzonitrile [ACD/IUPAC Name]
2-(2H-Tétrazol-2-ylméthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(2H-tetrazol-2-ylmethyl)- [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: 389.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.4±28.4 °C
Index of Refraction: 1.684
Molar Refractivity: 54.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 55.09
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 55.09
Polar Surface Area: 67 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 142.1±7.0 cm3

Click to predict properties on the Chemicalize site


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