ChemSpider 2D Image | 7-Bromo-3,4-dihydro-1(2H)-isoquinolinone | C9H8BrNO

7-Bromo-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC9H8BrNO
  • Average mass226.070 Da
  • Monoisotopic mass224.978912 Da
  • ChemSpider ID21429332

More details:

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

1(2H)-Isoquinolinone, 7-bromo-3,4-dihydro- [ACD/Index Name]
7-Brom-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
7-Bromo-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
7-Bromo-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC Name]
7-bromo-3,4-dihydro-2H-isoquinolin-1-one
7-Bromo-3,4-dihydroisoquinolin-1(2H)-one
891782-60-8 [RN]
MFCD08437642 [MDL number]
??? 1(2h)-isoquinolinone, 7-bromo-3,4-dihydro-
[891782-60-8] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 438.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 219.0±28.7 °C
    Index of Refraction: 1.600
    Molar Refractivity: 49.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 24.99
    ACD/KOC (pH 5.5): 348.49
    ACD/LogD (pH 7.4): 2.14
    ACD/BCF (pH 7.4): 24.99
    ACD/KOC (pH 7.4): 348.49
    Polar Surface Area: 29 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 145.0±3.0 cm3

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