ChemSpider 2D Image | 5-Chloro-3-propyl-1-(7H-purin-6-yl)-1H-pyrazole-4-carbonitrile | C12H10ClN7

5-Chloro-3-propyl-1-(7H-purin-6-yl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC12H10ClN7
  • Average mass287.708 Da
  • Monoisotopic mass287.068634 Da
  • ChemSpider ID43571188

More details:

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

1H-Pyrazole-4-carbonitrile, 5-chloro-3-propyl-1-(7H-purin-6-yl)- [ACD/Index Name]
5-Chlor-3-propyl-1-(7H-purin-6-yl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Chloro-3-propyl-1-(7H-purin-6-yl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Chloro-3-propyl-1-(7H-purin-6-yl)-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: 592.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±28.7 °C
Index of Refraction: 1.784
Molar Refractivity: 75.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.74
ACD/KOC (pH 5.5): 177.25
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 6.49
ACD/KOC (pH 7.4): 118.14
Polar Surface Area: 96 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 179.9±7.0 cm3

Click to predict properties on the Chemicalize site


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