ChemSpider 2D Image | 7-Bromo-5-fluorochroman-4-one | C9H6BrFO2

7-Bromo-5-fluorochroman-4-one

  • Molecular FormulaC9H6BrFO2
  • Average mass245.045 Da
  • Monoisotopic mass243.953506 Da
  • ChemSpider ID58171255

More details:

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

1092350-58-7 [RN]
4H-1-Benzopyran-4-one, 7-bromo-5-fluoro-2,3-dihydro- [ACD/Index Name]
7-Brom-5-fluor-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-Bromo-5-fluoro-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
7-Bromo-5-fluoro-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
7-Bromo-5-fluorochroman-4-one
7-bromo-5-fluoro-2,3-dihydro-1-benzopyran-4-one
7-bromo-5-fluoro-3,4-dihydro-2H-1-benzopyran-4-one
DS-19312
MFCD11518503

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 340.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.4±3.0 kJ/mol
    Flash Point: 159.5±27.9 °C
    Index of Refraction: 1.578
    Molar Refractivity: 47.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.97
    ACD/LogD (pH 5.5): 2.87
    ACD/BCF (pH 5.5): 89.68
    ACD/KOC (pH 5.5): 869.69
    ACD/LogD (pH 7.4): 2.87
    ACD/BCF (pH 7.4): 89.68
    ACD/KOC (pH 7.4): 869.69
    Polar Surface Area: 26 Å2
    Polarizability: 19.0±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 144.2±3.0 cm3

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