ChemSpider 2D Image | 5-Nitro-2-(3-oxetanyloxy)pyrimidine | C7H7N3O4

5-Nitro-2-(3-oxetanyloxy)pyrimidine

  • Molecular FormulaC7H7N3O4
  • Average mass197.148 Da
  • Monoisotopic mass197.043655 Da
  • ChemSpider ID26499451

More details:

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

1349715-52-1 [RN]
5-Nitro-2-(3-oxetanyloxy)pyrimidin [German] [ACD/IUPAC Name]
5-Nitro-2-(3-oxetanyloxy)pyrimidine [ACD/IUPAC Name]
5-Nitro-2-(3-oxétanyloxy)pyrimidine [French] [ACD/IUPAC Name]
5-Nitro-2-(oxetan-3-yloxy)pyrimidine
Pyrimidine, 5-nitro-2-(3-oxetanyloxy)- [ACD/Index Name]
KS-6890
MFCD20233117 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 400.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.6±3.0 kJ/mol
    Flash Point: 196.1±31.5 °C
    Index of Refraction: 1.601
    Molar Refractivity: 44.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.07
    ACD/LogD (pH 5.5): 0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 32.31
    ACD/LogD (pH 7.4): 0.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 32.31
    Polar Surface Area: 90 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 73.2±3.0 dyne/cm
    Molar Volume: 129.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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