ChemSpider 2D Image | 6-Bromo-4H-3,1-benzoxazin-4-one | C8H4BrNO2

6-Bromo-4H-3,1-benzoxazin-4-one

  • Molecular FormulaC8H4BrNO2
  • Average mass226.027 Da
  • Monoisotopic mass224.942535 Da
  • ChemSpider ID24598125

More details:

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

449185-77-7 [RN]
4H-3,1-Benzoxazin-4-one, 6-bromo- [ACD/Index Name]
6-Brom-4H-3,1-benzoxazin-4-on [German] [ACD/IUPAC Name]
6-Bromo-4H-3,1-benzoxazin-4-one [ACD/IUPAC Name]
6-Bromo-4H-3,1-benzoxazin-4-one [French] [ACD/IUPAC Name]
[449185-77-7] [RN]
2-[(Dimethylamino)methyl]-3-pyridinol [ACD/IUPAC Name]
2-Dimethylaminomethyl-3-pyridinol
6-bromo-3,1-benzoxazin-4-one
6-Bromo-4H-benzo[d][1,3]oxazin-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 352.2±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 166.8±28.4 °C
    Index of Refraction: 1.677
    Molar Refractivity: 47.2±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 40.62
    ACD/KOC (pH 5.5): 493.32
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 40.62
    ACD/KOC (pH 7.4): 493.32
    Polar Surface Area: 39 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 55.4±7.0 dyne/cm
    Molar Volume: 125.3±7.0 cm3

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