ChemSpider 2D Image | 1-[3-Nitro-4-(1H-pyrazol-1-yl)phenyl]ethanone | C11H9N3O3

1-[3-Nitro-4-(1H-pyrazol-1-yl)phenyl]ethanone

  • Molecular FormulaC11H9N3O3
  • Average mass231.208 Da
  • Monoisotopic mass231.064392 Da
  • ChemSpider ID24419306

More details:

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

1-[3-NITRO-4-(1H-PYRAZOL-1-YL)PHENYL]ETHAN-1-ONE
1-[3-Nitro-4-(1H-pyrazol-1-yl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[3-Nitro-4-(1H-pyrazol-1-yl)phenyl]ethanone [ACD/IUPAC Name]
1-[3-Nitro-4-(1H-pyrazol-1-yl)phényl]éthanone [French] [ACD/IUPAC Name]
1152964-28-7 [RN]
Ethanone, 1-[3-nitro-4-(1H-pyrazol-1-yl)phenyl]- [ACD/Index Name]
1-(3-Nitro-4-(1H-pyrazol-1-yl)phenyl)ethanone
1-(3-nitro-4-pyrazol-1-ylphenyl)ethanone
1-[3-NITRO-4-(PYRAZOL-1-YL)PHENYL]ETHANONE
ethanone, 1-[3-nitro-4-(1H-pyrazol-1-yl)phenyl]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 368.6±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.5±3.0 kJ/mol
    Flash Point: 176.7±25.1 °C
    Index of Refraction: 1.643
    Molar Refractivity: 61.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 1.85
    ACD/BCF (pH 5.5): 15.11
    ACD/KOC (pH 5.5): 243.05
    ACD/LogD (pH 7.4): 1.85
    ACD/BCF (pH 7.4): 15.11
    ACD/KOC (pH 7.4): 243.05
    Polar Surface Area: 81 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 57.0±7.0 dyne/cm
    Molar Volume: 170.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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