ChemSpider 2D Image | 4-Bromo-3-hydroxy-2H-pyran-2-one | C5H3BrO3

4-Bromo-3-hydroxy-2H-pyran-2-one

  • Molecular FormulaC5H3BrO3
  • Average mass190.980 Da
  • Monoisotopic mass189.926544 Da
  • ChemSpider ID61192515

More details:

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

2H-Pyran-2-one, 4-bromo-3-hydroxy- [ACD/Index Name]
4-Brom-3-hydroxy-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Bromo-3-hydroxy-2H-pyran-2-one [ACD/IUPAC Name]
4-Bromo-3-hydroxy-2H-pyran-2-one [French] [ACD/IUPAC Name]
98136-26-6 [RN]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 240.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.4±6.0 kJ/mol
Flash Point: 99.0±27.3 °C
Index of Refraction: 1.684
Molar Refractivity: 33.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 40.66
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.79
Polar Surface Area: 47 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 81.0±3.0 dyne/cm
Molar Volume: 87.9±3.0 cm3

Click to predict properties on the Chemicalize site


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