ChemSpider 2D Image | 5-Amino-3-(2-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile | C17H12Cl2N4

5-Amino-3-(2-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC17H12Cl2N4
  • Average mass343.210 Da
  • Monoisotopic mass342.043915 Da
  • ChemSpider ID20194550

More details:

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

1H-Pyrazole-4-carbonitrile, 5-amino-3-(2-chloro-4-methylphenyl)-1-(4-chlorophenyl)- [ACD/Index Name]
5-Amino-3-(2-chlor-4-methylphenyl)-1-(4-chlorphenyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-3-(2-chloro-4-methylphenyl)-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-3-(2-chloro-4-méthylphényl)-1-(4-chlorophényl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-amino-1-(4-chlorophenyl)-3-(2-chloro-4-methylphenyl)-1H-pyrazole-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: 559.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.9±30.1 °C
Index of Refraction: 1.676
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2008.59
ACD/KOC (pH 5.5): 8050.20
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2008.59
ACD/KOC (pH 7.4): 8050.20
Polar Surface Area: 68 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 247.5±7.0 cm3

Click to predict properties on the Chemicalize site


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