ChemSpider 2D Image | 4-Bromo-2-pteridinol | C6H3BrN4O

4-Bromo-2-pteridinol

  • Molecular FormulaC6H3BrN4O
  • Average mass227.018 Da
  • Monoisotopic mass225.949020 Da
  • ChemSpider ID58796473

More details:

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

2-Pteridinol, 4-bromo- [ACD/Index Name]
4-Brom-2-pteridinol [German] [ACD/IUPAC Name]
4-Bromo-2-pteridinol [ACD/IUPAC Name]
4-Bromo-2-ptéridinol [French] [ACD/IUPAC Name]
10457-90-6 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 490.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 250.3±31.5 °C
Index of Refraction: 1.767
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): -2.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 102.3±3.0 dyne/cm
Molar Volume: 111.1±3.0 cm3

Click to predict properties on the Chemicalize site


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