ChemSpider 2D Image | 4-Bromo-7-chloro-6-fluoroisoquinoline | C9H4BrClFN

4-Bromo-7-chloro-6-fluoroisoquinoline

  • Molecular FormulaC9H4BrClFN
  • Average mass260.490 Da
  • Monoisotopic mass258.919952 Da
  • ChemSpider ID27473850

More details:

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

1375302-35-4 [RN]
4-Brom-7-chlor-6-fluorisochinolin [German] [ACD/IUPAC Name]
4-Bromo-7-chloro-6-fluoroisoquinoléine [French] [ACD/IUPAC Name]
4-Bromo-7-chloro-6-fluoroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 4-bromo-7-chloro-6-fluoro- [ACD/Index Name]
4-Bromo-7-chloro-6-fluoro-isoquinoline
MFCD21604720

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 338.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.9±3.0 kJ/mol
    Flash Point: 158.4±26.5 °C
    Index of Refraction: 1.656
    Molar Refractivity: 54.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.74
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 317.72
    ACD/KOC (pH 5.5): 2150.12
    ACD/LogD (pH 7.4): 3.60
    ACD/BCF (pH 7.4): 317.99
    ACD/KOC (pH 7.4): 2151.94
    Polar Surface Area: 13 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 149.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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