ChemSpider 2D Image | 2-[3-(4-Nitro-1H-pyrazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione | C14H12N4O4

2-[3-(4-Nitro-1H-pyrazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC14H12N4O4
  • Average mass300.270 Da
  • Monoisotopic mass300.085846 Da
  • ChemSpider ID26496918

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[3-(4-nitro-1H-pyrazol-1-yl)propyl]- [ACD/Index Name]
2-[3-(4-Nitro-1H-pyrazol-1-yl)propyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[3-(4-Nitro-1H-pyrazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[3-(4-Nitro-1H-pyrazol-1-yl)propyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
1006572-22-0 [RN]
2-[3-(4-nitro-1H-pyrazol-1-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
2-[3-(4-nitropyrazol-1-yl)propyl]isoindole-1,3-dione
MFCD02029368 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 504.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.4±3.0 kJ/mol
    Flash Point: 259.1±24.6 °C
    Index of Refraction: 1.711
    Molar Refractivity: 77.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.30
    ACD/LogD (pH 5.5): 1.48
    ACD/BCF (pH 5.5): 7.84
    ACD/KOC (pH 5.5): 151.97
    ACD/LogD (pH 7.4): 1.48
    ACD/BCF (pH 7.4): 7.84
    ACD/KOC (pH 7.4): 151.97
    Polar Surface Area: 101 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 70.3±7.0 dyne/cm
    Molar Volume: 198.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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