ChemSpider 2D Image | 5-Bromo-2-(~2~H_2_)pyrazinol | C4HD2BrN2O

5-Bromo-2-(2H2)pyrazinol

  • Molecular FormulaC4HD2BrN2O
  • Average mass176.996 Da
  • Monoisotopic mass175.955414 Da
  • ChemSpider ID111330965

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Pyrazin-3,6-d2-ol, 5-bromo- [ACD/Index Name]
5-Brom-2-(2H2)pyrazinol [German] [ACD/IUPAC Name]
5-Bromo-2-(2H2)pyrazinol [ACD/IUPAC Name]
5-Bromo-2-(2H2)pyrazinol [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 444.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 222.3±27.3 °C
Index of Refraction: 1.625
Molar Refractivity: 32.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.39
ACD/KOC (pH 5.5): 81.27
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.83
Polar Surface Area: 46 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 90.5±3.0 cm3

Click to predict properties on the Chemicalize site


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