ChemSpider 2D Image | ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1h-imidazole-4-carboxylate | C15H15N3O6

ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1h-imidazole-4-carboxylate

  • Molecular FormulaC15H15N3O6
  • Average mass333.296 Da
  • Monoisotopic mass333.096100 Da
  • ChemSpider ID59759495

More details:






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

1-[2-(Méthoxycarbonyl)-4-nitrophényl]-5-méthyl-1H-imidazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1203852-75-8 [RN]
1H-Imidazole-4-carboxylic acid, 1-[2-(methoxycarbonyl)-4-nitrophenyl]-5-methyl-, ethyl ester [ACD/Index Name]
ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1h-imidazole-4-carboxylate
Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-5-methyl-1H-imidazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-[2-(methoxycarbonyl)-4-nitrophenyl]-5-methyl-1H-imidazol-4-carboxylat [German] [ACD/IUPAC Name]
ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1H-imidazole-4-carboxylate(WXC06731)
MFCD31555320

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 518.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.1±3.0 kJ/mol
    Flash Point: 267.6±30.1 °C
    Index of Refraction: 1.601
    Molar Refractivity: 83.2±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.55
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 33.29
    ACD/KOC (pH 5.5): 427.85
    ACD/LogD (pH 7.4): 2.31
    ACD/BCF (pH 7.4): 33.29
    ACD/KOC (pH 7.4): 427.88
    Polar Surface Area: 116 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 51.4±7.0 dyne/cm
    Molar Volume: 242.9±7.0 cm3

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