ChemSpider 2D Image | 5-Bromo-3,4-dimethyl-9H-xanthen-9-one | C15H11BrO2

5-Bromo-3,4-dimethyl-9H-xanthen-9-one

  • Molecular FormulaC15H11BrO2
  • Average mass303.151 Da
  • Monoisotopic mass301.994232 Da
  • ChemSpider ID38000926

More details:

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

1035912-43-6 [RN]
5-Brom-3,4-dimethyl-9H-xanthen-9-on [German] [ACD/IUPAC Name]
5-Bromo-3,4-dimethyl-9H-xanthen-9-one [ACD/IUPAC Name]
5-Bromo-3,4-diméthyl-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 5-bromo-3,4-dimethyl- [ACD/Index Name]
5-bromo-3,4-dimethylxanthen-9-one
MFCD28130391

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 429.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.5±3.0 kJ/mol
    Flash Point: 213.6±28.7 °C
    Index of Refraction: 1.640
    Molar Refractivity: 72.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 5.05
    ACD/LogD (pH 5.5): 4.88
    ACD/BCF (pH 5.5): 3024.40
    ACD/KOC (pH 5.5): 10790.38
    ACD/LogD (pH 7.4): 4.88
    ACD/BCF (pH 7.4): 3024.40
    ACD/KOC (pH 7.4): 10790.38
    Polar Surface Area: 26 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 202.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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