ChemSpider 2D Image | 2-(2-(4-Bromo-1H-pyrazol-1-yl)ethyl)isoindoline-1,3-dione | C13H10BrN3O2

2-(2-(4-Bromo-1H-pyrazol-1-yl)ethyl)isoindoline-1,3-dione

  • Molecular FormulaC13H10BrN3O2
  • Average mass320.141 Da
  • Monoisotopic mass318.995636 Da
  • ChemSpider ID28294216

More details:

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

1226808-60-1 [RN]
2-(2-(4-Bromo-1H-pyrazol-1-yl)ethyl)isoindoline-1,3-dione
2-[2-(4-Brom-1H-pyrazol-1-yl)ethyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[2-(4-Bromo-1H-pyrazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[2-(4-Bromo-1H-pyrazol-1-yl)éthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
[1226808-60-1] [RN]
1H-Isoindole-1,3(2H)-dione, 2-[2-(4-bromo-1H-pyrazol-1-yl)ethyl]- [ACD/Index Name]
2-(2-(4-Bromo-1H-pyrazol-1-yl)-ethyl)isoindoline-1,3-dione
2-[2-(4-bromo-1H-pyrazol-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
2-[2-(4-bromopyrazol-1-yl)ethyl]isoindole-1,3-dione
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 461.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 232.7±23.2 °C
    Index of Refraction: 1.721
    Molar Refractivity: 75.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.94
    ACD/LogD (pH 5.5): 2.27
    ACD/BCF (pH 5.5): 31.29
    ACD/KOC (pH 5.5): 409.32
    ACD/LogD (pH 7.4): 2.27
    ACD/BCF (pH 7.4): 31.29
    ACD/KOC (pH 7.4): 409.32
    Polar Surface Area: 55 Å2
    Polarizability: 29.7±0.5 10-24cm3
    Surface Tension: 63.0±7.0 dyne/cm
    Molar Volume: 189.8±7.0 cm3

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