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Search term: VYHQHLWCSBUSBT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-Chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine | C9H10ClNO

7-Chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine

  • Molecular FormulaC9H10ClNO
  • Average mass183.635 Da
  • Monoisotopic mass183.045090 Da
  • ChemSpider ID21636790

More details:

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

1,4-Benzoxazepine, 7-chloro-2,3,4,5-tetrahydro- [ACD/Index Name]
7-Chlor-2,3,4,5-tetrahydro-1,4-benzoxazepin [German] [ACD/IUPAC Name]
7-Chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine [ACD/IUPAC Name]
7-Chloro-2,3,4,5-tétrahydro-1,4-benzoxazépine [French] [ACD/IUPAC Name]
MFCD09055385 [MDL number]
1042628-09-0 [RN]
7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 296.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.6±3.0 kJ/mol
    Flash Point: 133.1±27.3 °C
    Index of Refraction: 1.544
    Molar Refractivity: 48.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.95
    ACD/LogD (pH 5.5): -0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 2.61
    ACD/KOC (pH 7.4): 41.85
    Polar Surface Area: 21 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 40.8±3.0 dyne/cm
    Molar Volume: 153.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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