ChemSpider 2D Image | 5-Amino-1-(2-bromo-4-chlorophenyl)-3-phenyl-1H-pyrazole-4-carbonitrile | C16H10BrClN4

5-Amino-1-(2-bromo-4-chlorophenyl)-3-phenyl-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC16H10BrClN4
  • Average mass373.634 Da
  • Monoisotopic mass371.977722 Da
  • ChemSpider ID122643877

More details:

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

1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-bromo-4-chlorophenyl)-3-phenyl- [ACD/Index Name]
5-Amino-1-(2-brom-4-chlorphenyl)-3-phenyl-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-1-(2-bromo-4-chlorophenyl)-3-phenyl-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-1-(2-bromo-4-chlorophényl)-3-phényl-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 586.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±30.1 °C
Index of Refraction: 1.706
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2875.00
ACD/KOC (pH 5.5): 10406.12
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2875.00
ACD/KOC (pH 7.4): 10406.12
Polar Surface Area: 68 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 235.6±7.0 cm3

Click to predict properties on the Chemicalize site


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