ChemSpider 2D Image | ethyl 1-tosyl-1h-imidazole-4-carboxylate | C13H14N2O4S

ethyl 1-tosyl-1h-imidazole-4-carboxylate

  • Molecular FormulaC13H14N2O4S
  • Average mass294.326 Da
  • Monoisotopic mass294.067413 Da
  • ChemSpider ID26460982

More details:

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

1-[(4-Méthylphényl)sulfonyl]-1H-imidazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1133116-23-0 [RN]
1H-Imidazole-4-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(4-methylphenyl)sulfonyl]-1H-imidazole-4-carboxylate [ACD/IUPAC Name]
ethyl 1-tosyl-1h-imidazole-4-carboxylate
Ethyl-1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-carboxylat [German] [ACD/IUPAC Name]
[1133116-23-0] [RN]
2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid [ACD/IUPAC Name]
98%
Ethyl 1-(4-methylbenzene-1-sulfonyl)-1H-imidazole-4-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: 477.0±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±3.0 kJ/mol
    Flash Point: 242.3±29.3 °C
    Index of Refraction: 1.598
    Molar Refractivity: 76.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.90
    ACD/LogD (pH 5.5): 1.80
    ACD/BCF (pH 5.5): 13.65
    ACD/KOC (pH 5.5): 225.96
    ACD/LogD (pH 7.4): 1.80
    ACD/BCF (pH 7.4): 13.65
    ACD/KOC (pH 7.4): 225.96
    Polar Surface Area: 87 Å2
    Polarizability: 30.1±0.5 10-24cm3
    Surface Tension: 49.7±7.0 dyne/cm
    Molar Volume: 222.7±7.0 cm3

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