ChemSpider 2D Image | 1-Boc-4-iodo-2,3-dihydro-1H-indole | C13H16INO2

1-Boc-4-iodo-2,3-dihydro-1H-indole

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID30798396

More details:

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

1-Boc-4-iodo-2,3-dihydro-1H-indole
1H-Indole-1-carboxylic acid, 2,3-dihydro-4-iodo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-iodo-1-indolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-iod-1-indolincarboxylat [German] [ACD/IUPAC Name]
4-Iodo-1-indolinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
954239-31-7 [RN]
tert-Butyl 4-iodoindoline-1-carboxylate
[954239-31-7] [RN]
1h-indole-1-carboxylic acid,2,3-dihydro-4-iodo-,1,1-dimethylethyl ester
MFCD08752592
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 379.8±41.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.8±3.0 kJ/mol
    Flash Point: 183.5±27.6 °C
    Index of Refraction: 1.602
    Molar Refractivity: 75.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.59
    ACD/LogD (pH 5.5): 4.15
    ACD/BCF (pH 5.5): 835.65
    ACD/KOC (pH 5.5): 4297.21
    ACD/LogD (pH 7.4): 4.15
    ACD/BCF (pH 7.4): 835.65
    ACD/KOC (pH 7.4): 4297.21
    Polar Surface Area: 30 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 47.6±3.0 dyne/cm
    Molar Volume: 218.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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