ChemSpider 2D Image | 1-(2,6-Difluorobenzyl)-3-nitro-1H-pyrazole | C10H7F2N3O2

1-(2,6-Difluorobenzyl)-3-nitro-1H-pyrazole

  • Molecular FormulaC10H7F2N3O2
  • Average mass239.178 Da
  • Monoisotopic mass239.050629 Da
  • ChemSpider ID26497179

More details:

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

1-(2,6-Difluorbenzyl)-3-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-3-nitro-1H-pyrazole [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-3-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
1-[(2,6-difluorophenyl)methyl]-3-nitro-1H-pyrazole
1240568-19-7 [RN]
1H-Pyrazole, 1-[(2,6-difluorophenyl)methyl]-3-nitro- [ACD/Index Name]
1-[(2,6-difluorophenyl)methyl]-3-nitropyrazole
atoms 17 bonds 18
MFCD16810582

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 371.4±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±3.0 kJ/mol
    Flash Point: 178.4±26.5 °C
    Index of Refraction: 1.601
    Molar Refractivity: 55.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 13.96
    ACD/KOC (pH 5.5): 229.72
    ACD/LogD (pH 7.4): 1.81
    ACD/BCF (pH 7.4): 13.96
    ACD/KOC (pH 7.4): 229.72
    Polar Surface Area: 64 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 48.3±7.0 dyne/cm
    Molar Volume: 163.3±7.0 cm3

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