ChemSpider 2D Image | 3-[5-(4-Bromobenzyl)-1H-tetrazol-1-yl]propanenitrile | C11H10BrN5

3-[5-(4-Bromobenzyl)-1H-tetrazol-1-yl]propanenitrile

  • Molecular FormulaC11H10BrN5
  • Average mass292.135 Da
  • Monoisotopic mass291.011963 Da
  • ChemSpider ID65283280

More details:

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

1H-Tetrazole-1-propanenitrile, 5-[(4-bromophenyl)methyl]- [ACD/Index Name]
3-[5-(4-Brombenzyl)-1H-tetrazol-1-yl]propannitril [German] [ACD/IUPAC Name]
3-[5-(4-Bromobenzyl)-1H-tetrazol-1-yl]propanenitrile [ACD/IUPAC Name]
3-[5-(4-Bromobenzyl)-1H-tétrazol-1-yl]propanenitrile [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 548.9±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.8±28.2 °C
Index of Refraction: 1.681
Molar Refractivity: 70.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.22
ACD/KOC (pH 5.5): 170.70
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.22
ACD/KOC (pH 7.4): 170.70
Polar Surface Area: 67 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 187.0±7.0 cm3

Click to predict properties on the Chemicalize site


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