ChemSpider 2D Image | ETHYL 2-ISOPROPYL-5-NITROPYRAZOLE-3-CARBOXYLATE | C9H13N3O4

ETHYL 2-ISOPROPYL-5-NITROPYRAZOLE-3-CARBOXYLATE

  • Molecular FormulaC9H13N3O4
  • Average mass227.217 Da
  • Monoisotopic mass227.090607 Da
  • ChemSpider ID28608007

More details:

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

1245772-15-9 [RN]
1H-Pyrazole-5-carboxylic acid, 1-(1-methylethyl)-3-nitro-, ethyl ester [ACD/Index Name]
1-Isopropyl-3-nitro-1H-pyrazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 1-(1-methylethyl)-3-nitro-1H-pyrazole-5-carboxylate
Ethyl 1-isopropyl-3-nitro-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
ETHYL 2-ISOPROPYL-5-NITROPYRAZOLE-3-CARBOXYLATE
ethyl 3-nitro-1-(propan-2-yl)-1H-pyrazole-5-carboxylate
Ethyl-1-isopropyl-3-nitro-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
2-Isopropyl-5-nitro-2H-pyrazole-3-carboxylic acid ethyl ester
ethyl 2-isopropyl-5-nitro-pyrazole-3-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 343.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.7±3.0 kJ/mol
    Flash Point: 161.3±22.3 °C
    Index of Refraction: 1.566
    Molar Refractivity: 55.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.15
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 4.85
    ACD/KOC (pH 5.5): 107.83
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 4.85
    ACD/KOC (pH 7.4): 107.83
    Polar Surface Area: 90 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 47.3±7.0 dyne/cm
    Molar Volume: 171.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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