ChemSpider 2D Image | 8-Quinolinyl 5-bromo-2-ethoxybenzenesulfonate | C17H14BrNO4S

8-Quinolinyl 5-bromo-2-ethoxybenzenesulfonate

  • Molecular FormulaC17H14BrNO4S
  • Average mass408.266 Da
  • Monoisotopic mass406.982697 Da
  • ChemSpider ID32813695

More details:

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

5-Bromo-2-éthoxybenzènesulfonate de 8-quinoléinyle [French] [ACD/IUPAC Name]
8-Chinolinyl-5-brom-2-ethoxybenzolsulfonat [German] [ACD/IUPAC Name]
8-Quinolinyl 5-bromo-2-ethoxybenzenesulfonate [ACD/IUPAC Name]
Benzenesulfonic acid, 5-bromo-2-ethoxy-, 8-quinolinyl ester [ACD/Index Name]
1904308-82-2 [RN]
quinolin-8-yl 5-bromo-2-ethoxybenzenesulfonate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 568.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.2±3.0 kJ/mol
    Flash Point: 297.8±30.1 °C
    Index of Refraction: 1.639
    Molar Refractivity: 96.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.61
    ACD/LogD (pH 5.5): 4.13
    ACD/BCF (pH 5.5): 802.87
    ACD/KOC (pH 5.5): 4175.71
    ACD/LogD (pH 7.4): 4.13
    ACD/BCF (pH 7.4): 802.95
    ACD/KOC (pH 7.4): 4176.17
    Polar Surface Area: 74 Å2
    Polarizability: 38.1±0.5 10-24cm3
    Surface Tension: 55.1±3.0 dyne/cm
    Molar Volume: 267.1±3.0 cm3

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