ChemSpider 2D Image | 3,4,6-Trichloro-3H-pyrazolo[3,4-d]pyrimidine | C5HCl3N4

3,4,6-Trichloro-3H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC5HCl3N4
  • Average mass223.447 Da
  • Monoisotopic mass221.926682 Da
  • ChemSpider ID109610246

More details:

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

3,4,6-Trichlor-3H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
3,4,6-Trichloro-3H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
3,4,6-Trichloro-3H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
3H-Pyrazolo[3,4-d]pyrimidine, 3,4,6-trichloro- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 313.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 143.2±27.9 °C
Index of Refraction: 1.866
Molar Refractivity: 46.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.89
ACD/KOC (pH 5.5): 274.32
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.89
ACD/KOC (pH 7.4): 274.32
Polar Surface Area: 51 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 76.0±7.0 dyne/cm
Molar Volume: 102.8±7.0 cm3

Click to predict properties on the Chemicalize site


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