ChemSpider 2D Image | tert-butyl 3-(4-nitro-1H-pyrazol-1-yl)azetidine-1-carboxylate | C11H16N4O4

tert-butyl 3-(4-nitro-1H-pyrazol-1-yl)azetidine-1-carboxylate

  • Molecular FormulaC11H16N4O4
  • Average mass268.269 Da
  • Monoisotopic mass268.117157 Da
  • ChemSpider ID30802597

More details:

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

1314987-79-5 [RN]
1-Azetidinecarboxylic acid, 3-(4-nitro-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(4-nitro-1H-pyrazol-1-yl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(4-nitro-1H-pyrazol-1-yl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(4-Nitro-1H-pyrazol-1-yl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-(4-nitro-1H-pyrazol-1-yl)azetidine-1-carboxylate
1-boc-3-(4-nitro-1-pyrazolyl)azetidine
DS-18973
IOGPBTPTPJYTFK-UHFFFAOYSA-N
MFCD14155811
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 410.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.3±3.0 kJ/mol
    Flash Point: 201.9±25.9 °C
    Index of Refraction: 1.619
    Molar Refractivity: 67.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.99
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 8.14
    ACD/KOC (pH 5.5): 156.07
    ACD/LogD (pH 7.4): 1.50
    ACD/BCF (pH 7.4): 8.14
    ACD/KOC (pH 7.4): 156.07
    Polar Surface Area: 93 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 55.1±7.0 dyne/cm
    Molar Volume: 190.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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