ChemSpider 2D Image | 5-Benzyl-2,6-dichloronicotinonitrile | C13H8Cl2N2

5-Benzyl-2,6-dichloronicotinonitrile

  • Molecular FormulaC13H8Cl2N2
  • Average mass263.122 Da
  • Monoisotopic mass262.006439 Da
  • ChemSpider ID32058341

More details:






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

3-Pyridinecarbonitrile, 2,6-dichloro-5-(phenylmethyl)- [ACD/Index Name]
5-Benzyl-2,6-dichlornicotinonitril [German] [ACD/IUPAC Name]
5-Benzyl-2,6-dichloronicotinonitrile [ACD/IUPAC Name]
5-Benzyl-2,6-dichloronicotinonitrile [French] [ACD/IUPAC Name]
1299492-96-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 401.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 196.8±27.3 °C
Index of Refraction: 1.629
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 706.88
ACD/KOC (pH 5.5): 3812.08
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 706.88
ACD/KOC (pH 7.4): 3812.08
Polar Surface Area: 37 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 191.6±5.0 cm3

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