ChemSpider 2D Image | Methyl 6-bromo-4-oxo-4H-chromene-2-carboxylate | C11H7BrO4

Methyl 6-bromo-4-oxo-4H-chromene-2-carboxylate

  • Molecular FormulaC11H7BrO4
  • Average mass283.075 Da
  • Monoisotopic mass281.952759 Da
  • ChemSpider ID14049777

More details:

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

116543-92-1 [RN]
4H-1-Benzopyran-2-carboxylic acid, 6-bromo-4-oxo-, methyl ester [ACD/Index Name]
6-Bromo-4-oxo-4H-chromène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-bromo-4-oxo-4H-chromene-2-carboxylate [ACD/IUPAC Name]
Methyl-6-brom-4-oxo-4H-chromen-2-carboxylat [German] [ACD/IUPAC Name]
MFCD03424512

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 370.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 177.6±27.9 °C
    Index of Refraction: 1.608
    Molar Refractivity: 58.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 2.27
    ACD/BCF (pH 5.5): 31.45
    ACD/KOC (pH 5.5): 410.80
    ACD/LogD (pH 7.4): 2.27
    ACD/BCF (pH 7.4): 31.45
    ACD/KOC (pH 7.4): 410.80
    Polar Surface Area: 53 Å2
    Polarizability: 23.2±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 168.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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