ChemSpider 2D Image | 6-Iodo-3,4-dihydro-1(2H)-isoquinolinone | C9H8INO

6-Iodo-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC9H8INO
  • Average mass273.070 Da
  • Monoisotopic mass272.965057 Da
  • ChemSpider ID19933470

More details:

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

1(2H)-Isoquinolinone, 3,4-dihydro-6-iodo- [ACD/Index Name]
6-Iod-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
6-Iodo-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
6-Iodo-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC Name]
3,4-dihydro-6-iodo-1(2H)-Isoquinolinone
6-Iodo-3,4-dihydroisoquinolin-1(2H)-one
877868-87-6 [RN]
MFCD27931226

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 470.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 238.4±28.7 °C
    Index of Refraction: 1.647
    Molar Refractivity: 54.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 2.23
    ACD/BCF (pH 5.5): 29.29
    ACD/KOC (pH 5.5): 390.40
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 29.29
    ACD/KOC (pH 7.4): 390.40
    Polar Surface Area: 29 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 49.4±3.0 dyne/cm
    Molar Volume: 150.9±3.0 cm3

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