ChemSpider 2D Image | [1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]acetonitrile | C18H14ClN3O

[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]acetonitrile

  • Molecular FormulaC18H14ClN3O
  • Average mass323.776 Da
  • Monoisotopic mass323.082550 Da
  • ChemSpider ID21137064

More details:

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

[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]acetonitrile [ACD/IUPAC Name]
[1-(4-Chlorophényl)-3-(4-méthoxyphényl)-1H-pyrazol-5-yl]acétonitrile [French] [ACD/IUPAC Name]
[1-(4-Chlorphenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]acetonitril [German] [ACD/IUPAC Name]
1H-Pyrazole-5-acetonitrile, 1-(4-chlorophenyl)-3-(4-methoxyphenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.6±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 92.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1796.96
ACD/KOC (pH 5.5): 7433.56
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1796.96
ACD/KOC (pH 7.4): 7433.56
Polar Surface Area: 51 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 264.0±7.0 cm3

Click to predict properties on the Chemicalize site


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