ChemSpider 2D Image | 5-Isopropenyl-3-(4-nitrophenyl)-1,2,4-oxadiazole | C11H9N3O3

5-Isopropenyl-3-(4-nitrophenyl)-1,2,4-oxadiazole

  • Molecular FormulaC11H9N3O3
  • Average mass231.208 Da
  • Monoisotopic mass231.064392 Da
  • ChemSpider ID26460913

More details:

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

1,2,4-Oxadiazole, 5-(1-methylethenyl)-3-(4-nitrophenyl)- [ACD/Index Name]
1033202-00-4 [RN]
3-(4-nitrophenyl)-5-(prop-1-en-2-yl)-1,2,4-oxadiazole
5-Isopropenyl-3-(4-nitrophenyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-Isopropenyl-3-(4-nitrophenyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
5-Isopropényl-3-(4-nitrophényl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
[1033202-00-4] [RN]
3-(4-nitrophenyl)-5-prop-1-en-2-yl-1,2,4-oxadiazole
HC-6530
MFCD10699663 [MDL number]

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

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 393.1±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 61.8±3.0 kJ/mol
    Flash Point: 191.6±28.4 °C
    Index of Refraction: 1.576
    Molar Refractivity: 60.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 108.40
    ACD/KOC (pH 5.5): 996.04
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 108.40
    ACD/KOC (pH 7.4): 996.04
    Polar Surface Area: 85 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 181.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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