ChemSpider 2D Image | tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate | C25H27IN2O2

tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate

  • Molecular FormulaC25H27IN2O2
  • Average mass514.398 Da
  • Monoisotopic mass514.111694 Da
  • ChemSpider ID29211953

More details:

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

1256584-75-4 [RN]
1H-Indole-3-carboxylic acid, 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-cyano-2-[2-(4-ethyl-3-iodophenyl)-2-propanyl]-1H-indole-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-cyan-2-[2-(4-ethyl-3-iodphenyl)-2-propanyl]-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
6-Cyano-2-[2-(4-éthyl-3-iodophényl)-2-propanyl]-1H-indole-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1H-indole-3-carboxylate
[1256584-75-4] [RN]
CS-13223
MFCD22571223 [MDL number]
tert-​butyl 6-​cyano-​2-​(2-​(4-​ethyl-​3-​iodophenyl)​propan-​2-​yl)​-​1h-​indole-​3-​carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 609.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.5±3.0 kJ/mol
    Flash Point: 322.3±31.5 °C
    Index of Refraction: 1.638
    Molar Refractivity: 128.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 8.71
    ACD/LogD (pH 5.5): 7.62
    ACD/BCF (pH 5.5): 362476.94
    ACD/KOC (pH 5.5): 331822.59
    ACD/LogD (pH 7.4): 7.62
    ACD/BCF (pH 7.4): 362476.94
    ACD/KOC (pH 7.4): 331822.59
    Polar Surface Area: 66 Å2
    Polarizability: 51.0±0.5 10-24cm3
    Surface Tension: 56.2±5.0 dyne/cm
    Molar Volume: 358.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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