ChemSpider 2D Image | 6,7-Difluoroisoquinoline | C9H5F2N

6,7-Difluoroisoquinoline

  • Molecular FormulaC9H5F2N
  • Average mass165.139 Da
  • Monoisotopic mass165.039001 Da
  • ChemSpider ID29362525

More details:

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

1202006-80-1 [RN]
6,7-Difluorisochinolin [German] [ACD/IUPAC Name]
6,7-Difluoroisoquinoléine [French] [ACD/IUPAC Name]
6,7-Difluoroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 6,7-difluoro- [ACD/Index Name]
"6,7-DIFLUOROISOQUINOLINE"
MFCD18374917
min. 95%

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 261.5±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.9±3.0 kJ/mol
    Flash Point: 112.0±21.8 °C
    Index of Refraction: 1.589
    Molar Refractivity: 42.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.97
    ACD/LogD (pH 5.5): 2.07
    ACD/BCF (pH 5.5): 21.29
    ACD/KOC (pH 5.5): 298.37
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 24.50
    ACD/KOC (pH 7.4): 343.37
    Polar Surface Area: 13 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 42.4±3.0 dyne/cm
    Molar Volume: 125.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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