ChemSpider 2D Image | 6-Fluoro-1(2H)-isoquinolinone | C9H6FNO

6-Fluoro-1(2H)-isoquinolinone

  • Molecular FormulaC9H6FNO
  • Average mass163.148 Da
  • Monoisotopic mass163.043335 Da
  • ChemSpider ID23979061

More details:

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

1(2H)-Isoquinolinone, 6-fluoro- [ACD/Index Name]
214045-85-9 [RN]
6-Fluor-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
6-Fluoro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
6-Fluoro-1(2H)-isoquinolinone [ACD/IUPAC Name]
6-fluoroisoquinolin-1(2H)-one
[214045-85-9] [RN]
1(2H)-Isoquinolinone 6-fluoro-(9CI)
1(2H)-Isoquinolinone, 6-fluoro- (9CI)
1(2H)-Isoquinolinone,6-fluoro-
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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: 1.3±0.1 g/cm3
    Boiling Point: 392.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 191.2±27.9 °C
    Index of Refraction: 1.571
    Molar Refractivity: 41.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.26
    ACD/LogD (pH 5.5): 0.98
    ACD/BCF (pH 5.5): 3.28
    ACD/KOC (pH 5.5): 81.42
    ACD/LogD (pH 7.4): 0.98
    ACD/BCF (pH 7.4): 3.28
    ACD/KOC (pH 7.4): 81.42
    Polar Surface Area: 29 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 126.3±3.0 cm3

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