ChemSpider 2D Image | 4'-{[5-(3-Pyridinyl)-2H-tetrazol-2-yl]methyl}-2-biphenylcarbonitrile | C20H14N6

4'-{[5-(3-Pyridinyl)-2H-tetrazol-2-yl]methyl}-2-biphenylcarbonitrile

  • Molecular FormulaC20H14N6
  • Average mass338.365 Da
  • Monoisotopic mass338.127991 Da
  • ChemSpider ID24740250

More details:

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

[1,1'-Biphenyl]-2-carbonitrile, 4'-[[5-(3-pyridinyl)-2H-tetrazol-2-yl]methyl]- [ACD/Index Name]
4'-{[5-(3-Pyridinyl)-2H-tetrazol-2-yl]methyl}-2-biphenylcarbonitril [German] [ACD/IUPAC Name]
4'-{[5-(3-Pyridinyl)-2H-tetrazol-2-yl]methyl}-2-biphenylcarbonitrile [ACD/IUPAC Name]
4'-{[5-(3-Pyridinyl)-2H-tétrazol-2-yl]méthyl}-2-biphénylcarbonitrile [French] [ACD/IUPAC 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: 625.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.60
ACD/KOC (pH 5.5): 1036.52
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.61
ACD/KOC (pH 7.4): 1036.58
Polar Surface Area: 80 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 266.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement