ChemSpider 2D Image | 4-(2-Pyrimidinyl)benzonitrile | C11H7N3

4-(2-Pyrimidinyl)benzonitrile

  • Molecular FormulaC11H7N3
  • Average mass181.193 Da
  • Monoisotopic mass181.063995 Da
  • ChemSpider ID14094764

More details:

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

4-(2-Pyrimidinyl)benzonitril [German] [ACD/IUPAC Name]
4-(2-Pyrimidinyl)benzonitrile [ACD/IUPAC Name]
4-(2-Pyrimidinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(2-pyrimidinyl)- [ACD/Index Name]
(4-cyanophenyl)pyrimidine
2-(4-Cyanophenyl)pyrimidine
2-(4-Cyanophenyl)pyrimidine, 2-(4-Cyanophenyl)-1,3-diazine
2-(4-Cyanophenyl)pyrimidine; 2-(4-Cyanophenyl)-1,3-diazine
4-(Pyrimidin-2-yl)benzonitrile
4-(Pyrimidin-2-yl)benzonitrile|2-(4-Cyanophenyl)pyrimidine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 262.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 100.2±10.3 °C
Index of Refraction: 1.625
Molar Refractivity: 51.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.84
ACD/KOC (pH 5.5): 165.60
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.84
ACD/KOC (pH 7.4): 165.60
Polar Surface Area: 50 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 146.1±5.0 cm3

Click to predict properties on the Chemicalize site


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