ChemSpider 2D Image | 4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione | C17H14N2O7

4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

  • Molecular FormulaC17H14N2O7
  • Average mass358.302 Da
  • Monoisotopic mass358.080109 Da
  • ChemSpider ID28536656

More details:

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

1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl 4-nitrobenzyl carbonate
193269-82-8 [RN]
4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.02,6]dec-8-en-3,5-dion [German] [ACD/IUPAC Name]
4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione [ACD/IUPAC Name]
4-({[(4-Nitrobenzyl)oxy]carbonyl}oxy)-4-azatricyclo[5.2.1.02,6]déc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[[[(4-nitrophenyl)methoxy]carbonyl]oxy]- [ACD/Index Name]
1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl4-nitrobenzylcarbonate
2-({[(4-Nitrophenyl)methoxy]carbonyl}oxy)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
3a,4,7,7a-Tetrahydro-2-[[[(4-nitrophenyl)methoxy]carbonyl]oxy]-4,7-methano-1H-isoindole-1,3(2H)-dione
MFCD18071454 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 527.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.2±3.0 kJ/mol
    Flash Point: 273.0±32.9 °C
    Index of Refraction: 1.660
    Molar Refractivity: 85.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.41
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 13.91
    ACD/KOC (pH 5.5): 229.05
    ACD/LogD (pH 7.4): 1.81
    ACD/BCF (pH 7.4): 13.91
    ACD/KOC (pH 7.4): 229.05
    Polar Surface Area: 119 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 73.3±5.0 dyne/cm
    Molar Volume: 230.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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