ChemSpider 2D Image | 2-((5-Methylbenzo[d]oxazol-2-yl)methyl)isoindoline-1,3-dione | C17H12N2O3

2-((5-Methylbenzo[d]oxazol-2-yl)methyl)isoindoline-1,3-dione

  • Molecular FormulaC17H12N2O3
  • Average mass292.289 Da
  • Monoisotopic mass292.084778 Da
  • ChemSpider ID26457357

More details:

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

1228553-14-7 [RN]
1H-Isoindole-1,3(2H)-dione, 2-[(5-methyl-2-benzoxazolyl)methyl]- [ACD/Index Name]
2-((5-Methylbenzo[d]oxazol-2-yl)methyl)isoindoline-1,3-dione
2-[(5-Methyl-1,3-benzoxazol-2-yl)methyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(5-Methyl-1,3-benzoxazol-2-yl)methyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[(5-Méthyl-1,3-benzoxazol-2-yl)méthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
1H-isoindole-1,3(2H)-dione, 2-[(5-methyl-2-benzoxazolyl)methyl]
2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]isoindole-1,3-dione
MFCD16618481 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 452.9±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 227.7±24.0 °C
    Index of Refraction: 1.697
    Molar Refractivity: 79.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.76
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 70.96
    ACD/KOC (pH 5.5): 735.19
    ACD/LogD (pH 7.4): 2.74
    ACD/BCF (pH 7.4): 71.07
    ACD/KOC (pH 7.4): 736.25
    Polar Surface Area: 63 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 68.8±3.0 dyne/cm
    Molar Volume: 207.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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