ChemSpider 2D Image | 8-Bromo-6-methoxy-2H-1,4-benzoxazin-3(4H)-one | C9H8BrNO3

8-Bromo-6-methoxy-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC9H8BrNO3
  • Average mass258.069 Da
  • Monoisotopic mass256.968750 Da
  • ChemSpider ID10619748

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 8-bromo-6-methoxy- [ACD/Index Name]
688363-47-5 [RN]
8-Brom-6-methoxy-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
8-Bromo-6-methoxy-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
8-Bromo-6-méthoxy-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
8-bromo-6-methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one
8-bromo-6-methoxy-2,4-dihydro-1,4-benzoxazin-3-one
8-bromo-6-methoxy-2H,4H-benzo[e]1,4-oxazin-3-one
8-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one
8-bromo-6-methoxy-4H-1,4-benzoxazin-3-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 387.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.4±27.9 °C
    Index of Refraction: 1.580
    Molar Refractivity: 53.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 44.49
    ACD/KOC (pH 5.5): 526.57
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.49
    ACD/KOC (pH 7.4): 526.53
    Polar Surface Area: 48 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 45.6±3.0 dyne/cm
    Molar Volume: 160.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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