ChemSpider 2D Image | 3,4,6-Trichloro-1H-pyrazolo[3,4-d]pyrimidine | C5HCl3N4

3,4,6-Trichloro-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC5HCl3N4
  • Average mass223.447 Da
  • Monoisotopic mass221.926682 Da
  • ChemSpider ID38773275

More details:

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

1936344-23-8 [RN]
1H-Pyrazolo[3,4-d]pyrimidine, 3,4,6-trichloro- [ACD/Index Name]
3,4,6-Trichlor-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
3,4,6-Trichloro-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
3,4,6-Trichloro-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
BS-15772
MFCD29760573

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 5.16
ACD/KOC (pH 5.5): 92.02
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.05
Polar Surface Area: 54 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 89.2±3.0 dyne/cm
Molar Volume: 117.4±3.0 cm3

Click to predict properties on the Chemicalize site


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