ChemSpider 2D Image | 8-Bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine | C9H10BrNO

8-Bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine

  • Molecular FormulaC9H10BrNO
  • Average mass228.086 Da
  • Monoisotopic mass226.994568 Da
  • ChemSpider ID28190463

More details:

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

1,4-Benzoxazepine, 8-bromo-2,3,4,5-tetrahydro- [ACD/Index Name]
1215074-47-7 [RN]
8-Brom-2,3,4,5-tetrahydro-1,4-benzoxazepin [German] [ACD/IUPAC Name]
8-Bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine [ACD/IUPAC Name]
8-Bromo-2,3,4,5-tétrahydro-1,4-benzoxazépine [French] [ACD/IUPAC Name]
8-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
[1215074-47-7] [RN]
AGN-PC-0J0Y5E
AJ-127184
AK-56557
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 300.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.0±3.0 kJ/mol
    Flash Point: 135.3±27.9 °C
    Index of Refraction: 1.563
    Molar Refractivity: 51.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.16
    ACD/LogD (pH 5.5): 0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.99
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 8.50
    ACD/KOC (pH 7.4): 101.60
    Polar Surface Area: 21 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 157.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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