ChemSpider 2D Image | Ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate | C12H12N4O4

Ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate

  • Molecular FormulaC12H12N4O4
  • Average mass276.248 Da
  • Monoisotopic mass276.085846 Da
  • ChemSpider ID23371444

More details:

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

16459-34-0 [RN]
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(3-nitrophenyl)-, ethyl ester [ACD/Index Name]
5-Amino-1-(3-nitrophényl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate
Ethyl-5-amino-1-(3-nitrophenyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[16459-34-0] [RN]
1H-Pyrazole-4-carboxylicacid, 5-amino-1-(3-nitrophenyl)-, ethyl ester
5-?amino-?1-?(3-?nitrophenyl)?-1H-?Pyrazole-?4-?carboxylic acid?, ethyl ester
Ethyl 4-aminophenylacetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 456.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±3.0 kJ/mol
    Flash Point: 229.9±25.9 °C
    Index of Refraction: 1.654
    Molar Refractivity: 69.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.29
    ACD/LogD (pH 5.5): 2.58
    ACD/BCF (pH 5.5): 53.72
    ACD/KOC (pH 5.5): 602.64
    ACD/LogD (pH 7.4): 2.58
    ACD/BCF (pH 7.4): 53.72
    ACD/KOC (pH 7.4): 602.64
    Polar Surface Area: 116 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 62.2±7.0 dyne/cm
    Molar Volume: 189.4±7.0 cm3

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