ChemSpider 2D Image | Ethyl 5-chloro-7-nitro-1H-indole-2-carboxylate | C11H9ClN2O4

Ethyl 5-chloro-7-nitro-1H-indole-2-carboxylate

  • Molecular FormulaC11H9ClN2O4
  • Average mass268.653 Da
  • Monoisotopic mass268.025085 Da
  • ChemSpider ID29358814

More details:

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

1H-Indole-2-carboxylic acid, 5-chloro-7-nitro-, ethyl ester [ACD/Index Name]
5-Chloro-7-nitro-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
91119-27-6 [RN]
Ethyl 5-chloro-7-nitro-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-chlor-7-nitro-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
5-Chloro-7-nitroindole-2-carboxylic acid ethyl ester
ethyl5-chloro-7-nitro-1h-indole-2-carboxylate
MFCD20923218

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 446.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.5±3.0 kJ/mol
    Flash Point: 223.8±27.3 °C
    Index of Refraction: 1.659
    Molar Refractivity: 66.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.47
    ACD/LogD (pH 5.5): 3.48
    ACD/BCF (pH 5.5): 259.16
    ACD/KOC (pH 5.5): 1858.84
    ACD/LogD (pH 7.4): 3.48
    ACD/BCF (pH 7.4): 259.11
    ACD/KOC (pH 7.4): 1858.45
    Polar Surface Area: 88 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 62.7±3.0 dyne/cm
    Molar Volume: 180.1±3.0 cm3

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