Found 213 results

Search term: MF = 'C_{13}H_{12}N_{4}O_{6}'
ChemSpider 2D Image | ethyl 1-(2,4-dinitrophenyl)-5-methylpyrazole-4-carboxylate | C13H12N4O6

ethyl 1-(2,4-dinitrophenyl)-5-methylpyrazole-4-carboxylate

  • Molecular FormulaC13H12N4O6
  • Average mass320.258 Da
  • Monoisotopic mass320.075684 Da
  • ChemSpider ID21801419

More details:

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

1-(2,4-Dinitrophényl)-5-méthyl-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1172307-43-5 [RN]
1H-Pyrazole-4-carboxylic acid, 1-(2,4-dinitrophenyl)-5-methyl-, ethyl ester [ACD/Index Name]
Ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
ethyl 1-(2,4-dinitrophenyl)-5-methylpyrazole-4-carboxylate
Ethyl-1-(2,4-dinitrophenyl)-5-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

MFCD00233460 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 469.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 237.7±28.7 °C
    Index of Refraction: 1.648
    Molar Refractivity: 77.6±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.85
    ACD/LogD (pH 5.5): 2.56
    ACD/BCF (pH 5.5): 51.89
    ACD/KOC (pH 5.5): 587.87
    ACD/LogD (pH 7.4): 2.56
    ACD/BCF (pH 7.4): 51.89
    ACD/KOC (pH 7.4): 587.87
    Polar Surface Area: 136 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 63.3±7.0 dyne/cm
    Molar Volume: 213.1±7.0 cm3

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