ChemSpider 2D Image | tert-butyl 3-methyl-4-nitropyrazole-1-carboxylate | C9H13N3O4

tert-butyl 3-methyl-4-nitropyrazole-1-carboxylate

  • Molecular FormulaC9H13N3O4
  • Average mass227.217 Da
  • Monoisotopic mass227.090607 Da
  • ChemSpider ID29339925

More details:

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

1H-Pyrazole-1-carboxylic acid, 3-methyl-4-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-methyl-4-nitro-1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-methyl-4-nitro-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]
3-Méthyl-4-nitro-1H-pyrazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
847139-22-4 [RN]
tert-Butyl 3-methyl-4-nitro-1H-pyrazole-1-carboxylate
tert-butyl 3-methyl-4-nitropyrazole-1-carboxylate
3-methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester
MFCD23115360 [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: 331.1±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.4±3.0 kJ/mol
    Flash Point: 154.0±25.7 °C
    Index of Refraction: 1.553
    Molar Refractivity: 56.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 1.80
    ACD/BCF (pH 5.5): 13.68
    ACD/KOC (pH 5.5): 226.37
    ACD/LogD (pH 7.4): 1.80
    ACD/BCF (pH 7.4): 13.68
    ACD/KOC (pH 7.4): 226.37
    Polar Surface Area: 90 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 45.5±7.0 dyne/cm
    Molar Volume: 175.6±7.0 cm3

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