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

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

  • Molecular FormulaC12H7N5
  • Average mass221.217 Da
  • Monoisotopic mass221.070145 Da
  • ChemSpider ID21789658

More details:

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

2-(1H-Benzotriazol-1-yl)isonicotinonitril [German] [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)isonicotinonitrile [ACD/IUPAC Name]
2-(1H-Benzotriazol-1-yl)isonicotinonitrile [French] [ACD/IUPAC Name]
4-Pyridinecarbonitrile, 2-(1H-1,2,3-benzotriazol-1-yl)- [ACD/Index Name]
2-(1H-1,2,3-benzotriazol-1-yl)isonicotinonitrile
2-(1H-1,2,3-benzotriazol-1-yl)pyridine-4-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: 440.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 220.1±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: 1.64
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.14
ACD/KOC (pH 5.5): 156.04
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.14
ACD/KOC (pH 7.4): 156.04
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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