ChemSpider 2D Image | 4-[5-(3-Pyridinyl)-2H-tetrazol-2-yl]benzonitrile | C13H8N6

4-[5-(3-Pyridinyl)-2H-tetrazol-2-yl]benzonitrile

  • Molecular FormulaC13H8N6
  • Average mass248.243 Da
  • Monoisotopic mass248.081039 Da
  • ChemSpider ID31129146

More details:

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

4-[5-(3-Pyridinyl)-2H-tetrazol-2-yl]benzonitril [German] [ACD/IUPAC Name]
4-[5-(3-Pyridinyl)-2H-tetrazol-2-yl]benzonitrile [ACD/IUPAC Name]
4-[5-(3-Pyridinyl)-2H-tétrazol-2-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[5-(3-pyridinyl)-2H-tetrazol-2-yl]- [ACD/Index 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: 506.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.9±32.9 °C
Index of Refraction: 1.729
Molar Refractivity: 72.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.34
ACD/KOC (pH 5.5): 130.47
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.34
ACD/KOC (pH 7.4): 130.48
Polar Surface Area: 80 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 182.8±7.0 cm3

Click to predict properties on the Chemicalize site


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