ChemSpider 2D Image | 1-Bromo-3,7-dihydro-1H-purine-2,6-dione | C5H3BrN4O2

1-Bromo-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC5H3BrN4O2
  • Average mass231.007 Da
  • Monoisotopic mass229.943924 Da
  • ChemSpider ID66423736

More details:

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

1-Brom-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-Bromo-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-Bromo-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 1-bromo-3,7-dihydro- [ACD/Index Name]
Bromxanthin

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.741
Molar Refractivity: 41.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.25
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.23
Polar Surface Area: 78 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 104.7±3.0 dyne/cm
Molar Volume: 102.3±3.0 cm3

Click to predict properties on the Chemicalize site


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