Found 611 results

Search term: MF = 'C_{12}H_{17}N_{3}O_{6}'
ChemSpider 2D Image | Ethyl 1-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4-nitro-1H-pyrazole-3-carboxylate | C12H17N3O6

Ethyl 1-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4-nitro-1H-pyrazole-3-carboxylate

  • Molecular FormulaC12H17N3O6
  • Average mass299.280 Da
  • Monoisotopic mass299.111725 Da
  • ChemSpider ID34485537

More details:

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

1-{2-[(2-Méthyl-2-propanyl)oxy]-2-oxoéthyl}-4-nitro-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 3-(ethoxycarbonyl)-4-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
Ethyl 1-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4-nitro-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4-nitro-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
1858249-89-4 [RN]
ethyl 1-(2-tert-butoxy-2-oxoethyl)-4-nitro-1H-pyrazole-3-carboxylate
ethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-nitropyrazole-3-carboxylate
MFCD28505098

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 409.4±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 201.4±25.9 °C
    Index of Refraction: 1.547
    Molar Refractivity: 72.2±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): 2.13
    ACD/BCF (pH 5.5): 24.57
    ACD/KOC (pH 5.5): 344.26
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 24.57
    ACD/KOC (pH 7.4): 344.26
    Polar Surface Area: 116 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 47.2±7.0 dyne/cm
    Molar Volume: 227.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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