ChemSpider 2D Image | 3-Bromo-5-hydroxy-4H-pyran-4-one | C5H3BrO3

3-Bromo-5-hydroxy-4H-pyran-4-one

  • Molecular FormulaC5H3BrO3
  • Average mass190.980 Da
  • Monoisotopic mass189.926544 Da
  • ChemSpider ID27242135

More details:

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

3-Brom-5-hydroxy-4H-pyran-4-on [German] [ACD/IUPAC Name]
3-Bromo-5-hydroxy-4H-pyran-4-one [ACD/IUPAC Name]
3-Bromo-5-hydroxy-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 3-bromo-5-hydroxy- [ACD/Index Name]
3-bromo-5-hydroxypyran-4-one
95790-60-6 [RN]
MFCD22062349

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

Density: 2.2±0.1 g/cm3
Boiling Point: 327.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 152.0±27.9 °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: -0.22
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 39.59
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.15
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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