ChemSpider 2D Image | 3-(3-Nitrophenyl)-5-propyl-1,2,4-oxadiazole | C11H11N3O3

3-(3-Nitrophenyl)-5-propyl-1,2,4-oxadiazole

  • Molecular FormulaC11H11N3O3
  • Average mass233.223 Da
  • Monoisotopic mass233.080048 Da
  • ChemSpider ID26460914

More details:

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

1,2,4-Oxadiazole, 3-(3-nitrophenyl)-5-propyl- [ACD/Index Name]
1033202-02-6 [RN]
3-(3-Nitrophenyl)-5-propyl-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-(3-Nitrophenyl)-5-propyl-1,2,4-oxadiazole [ACD/IUPAC Name]
3-(3-Nitrophényl)-5-propyl-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
[1033202-02-6] [RN]
HC-6537
MFCD10699666 [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: 386.3±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.0±3.0 kJ/mol
    Flash Point: 187.4±28.4 °C
    Index of Refraction: 1.562
    Molar Refractivity: 60.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.25
    ACD/LogD (pH 5.5): 2.78
    ACD/BCF (pH 5.5): 76.62
    ACD/KOC (pH 5.5): 777.01
    ACD/LogD (pH 7.4): 2.78
    ACD/BCF (pH 7.4): 76.62
    ACD/KOC (pH 7.4): 777.01
    Polar Surface Area: 85 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 185.1±3.0 cm3

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