ChemSpider 2D Image | 3-Bromo-1-(1,4-oxazepan-4-yl)-1-propanone | C8H14BrNO2

3-Bromo-1-(1,4-oxazepan-4-yl)-1-propanone

  • Molecular FormulaC8H14BrNO2
  • Average mass236.106 Da
  • Monoisotopic mass235.020782 Da
  • ChemSpider ID35480369

More details:

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

1-Propanone, 3-bromo-1-(tetrahydro-1,4-oxazepin-4(5H)-yl)- [ACD/Index Name]
3-Brom-1-(1,4-oxazepan-4-yl)-1-propanon [German] [ACD/IUPAC Name]
3-Bromo-1-(1,4-oxazepan-4-yl)-1-propanone [ACD/IUPAC Name]
3-Bromo-1-(1,4-oxazépan-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1352539-62-8 [RN]
3-bromo-1-(1,4-oxazepan-4-yl)propan-1-one
3-Bromo-1-[1,4]oxazepan-4-yl-propan-1-one
MFCD20535290

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 346.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.0±3.0 kJ/mol
    Flash Point: 163.1±26.5 °C
    Index of Refraction: 1.507
    Molar Refractivity: 49.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.80
    ACD/LogD (pH 5.5): 0.79
    ACD/BCF (pH 5.5): 2.36
    ACD/KOC (pH 5.5): 64.36
    ACD/LogD (pH 7.4): 0.79
    ACD/BCF (pH 7.4): 2.36
    ACD/KOC (pH 7.4): 64.36
    Polar Surface Area: 30 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 41.9±3.0 dyne/cm
    Molar Volume: 167.2±3.0 cm3

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