ChemSpider 2D Image | 5-Bromo-3-methoxy-4-oxo-4H-pyran-2-carbaldehyde | C7H5BrO4

5-Bromo-3-methoxy-4-oxo-4H-pyran-2-carbaldehyde

  • Molecular FormulaC7H5BrO4
  • Average mass233.016 Da
  • Monoisotopic mass231.937119 Da
  • ChemSpider ID45661635

More details:

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

4H-Pyran-2-carboxaldehyde, 5-bromo-3-methoxy-4-oxo- [ACD/Index Name]
5-Brom-3-methoxy-4-oxo-4H-pyran-2-carbaldehyd [German] [ACD/IUPAC Name]
5-Bromo-3-methoxy-4-oxo-4H-pyran-2-carbaldehyde [ACD/IUPAC Name]
5-Bromo-3-méthoxy-4-oxo-4H-pyrane-2-carbaldéhyde [French] [ACD/IUPAC Name]
1782753-58-5 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 383.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 185.5±27.9 °C
Index of Refraction: 1.565
Molar Refractivity: 43.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.56
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.56
Polar Surface Area: 53 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 132.6±5.0 cm3

Click to predict properties on the Chemicalize site


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