ChemSpider 2D Image | 5-CHLORO-8-FLUOROCHROMAN-4-ONE | C9H6ClFO2

5-CHLORO-8-FLUOROCHROMAN-4-ONE

  • Molecular FormulaC9H6ClFO2
  • Average mass200.594 Da
  • Monoisotopic mass200.004028 Da
  • ChemSpider ID37564949

More details:

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

1273653-86-3 [RN]
4H-1-Benzopyran-4-one, 5-chloro-8-fluoro-2,3-dihydro- [ACD/Index Name]
5-Chlor-8-fluor-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
5-Chloro-8-fluoro-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
5-Chloro-8-fluoro-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
5-CHLORO-8-FLUOROCHROMAN-4-ONE
DS-19307
MFCD18648511

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 329.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 158.0±17.0 °C
    Index of Refraction: 1.557
    Molar Refractivity: 45.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 2.68
    ACD/BCF (pH 5.5): 64.26
    ACD/KOC (pH 5.5): 685.06
    ACD/LogD (pH 7.4): 2.68
    ACD/BCF (pH 7.4): 64.26
    ACD/KOC (pH 7.4): 685.06
    Polar Surface Area: 26 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 45.0±3.0 dyne/cm
    Molar Volume: 140.0±3.0 cm3

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