ChemSpider 2D Image | 2-bromo-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one | C13H16BrNO2

2-bromo-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one

  • Molecular FormulaC13H16BrNO2
  • Average mass298.176 Da
  • Monoisotopic mass297.036438 Da
  • ChemSpider ID21800715

More details:

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

1119450-35-9 [RN]
1-Butanone, 2-bromo-1-(2,3-dihydro-6-methyl-4H-1,4-benzoxazin-4-yl)- [ACD/Index Name]
2-Brom-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-butanon [German] [ACD/IUPAC Name]
2-bromo-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one
2-Bromo-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-butanone [ACD/IUPAC Name]
2-Bromo-1-(6-méthyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-butanone [French] [ACD/IUPAC Name]
2-bromo-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butan-1-one
2-bromo-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butan-1-one
2-bromo-1-(6-methyl(2H,3H-benzo[e]1,4-oxazaperhydroin-4-yl))butan-1-one
2-Bromo-1-(6-methyl-2H-benzo[b][1,4]oxazin-4(3H)-yl)butan-1-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12027343 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 454.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 228.8±28.7 °C
    Index of Refraction: 1.573
    Molar Refractivity: 70.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 126.21
    ACD/KOC (pH 5.5): 1110.59
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 126.22
    ACD/KOC (pH 7.4): 1110.68
    Polar Surface Area: 30 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 212.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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