ChemSpider 2D Image | 2-(1H-Benzotriazol-1-yl)nicotinonitrile | C12H7N5

2-(1H-Benzotriazol-1-yl)nicotinonitrile

  • Molecular FormulaC12H7N5
  • Average mass221.217 Da
  • Monoisotopic mass221.070145 Da
  • ChemSpider ID21789657

More details:

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

14178-16-6 [RN]
2-(1H-Benzotriazol-1-yl)-3-pyridinecarbonitrile
2-(1H-Benzotriazol-1-yl)nicotinonitril [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)nicotinonitrile [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)nicotinonitrile [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2-(1H-1,2,3-benzotriazol-1-yl)- [ACD/Index Name]
2-(1H-1,2,3-benzotriazol-1-yl)nicotinonitrile
2-(1H-1,2,3-benzotriazol-1-yl)pyridine-3-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 469.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.7±31.5 °C
Index of Refraction: 1.739
Molar Refractivity: 65.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.38
ACD/KOC (pH 5.5): 159.34
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.38
ACD/KOC (pH 7.4): 159.34
Polar Surface Area: 67 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 162.0±7.0 cm3

Click to predict properties on the Chemicalize site


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