ChemSpider 2D Image | 7-bromo-2,4-dihydro-1H-3,1-benzoxazin-2-one | C8H6BrNO2

7-bromo-2,4-dihydro-1H-3,1-benzoxazin-2-one

  • Molecular FormulaC8H6BrNO2
  • Average mass228.043 Da
  • Monoisotopic mass226.958176 Da
  • ChemSpider ID24599607

More details:

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

1245808-46-1 [RN]
7-bromo-2,4-dihydro-1H-3,1-benzoxazin-2-one
7-Bromo-1,4-dihydro-3,1-benzoxazin-2-one
7-bromo-1H-benzo[d][1,3]oxazin-2(4H)-one
7-bromobenzo[d][1,3]oxazin-2(4h)-one
CS-12445
MFCD12755795

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 245.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.3±3.0 kJ/mol
    Flash Point: 102.4±27.3 °C
    Index of Refraction: 1.601
    Molar Refractivity: 46.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.50
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.93
    ACD/KOC (pH 5.5): 580.05
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 50.93
    ACD/KOC (pH 7.4): 580.05
    Polar Surface Area: 38 Å2
    Polarizability: 18.5±0.5 10-24cm3
    Surface Tension: 47.6±3.0 dyne/cm
    Molar Volume: 136.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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