ChemSpider 2D Image | tert-Butyl 7-(benzyloxy)-3-formyl-1H-indole-1-carboxylate | C21H21NO4

tert-Butyl 7-(benzyloxy)-3-formyl-1H-indole-1-carboxylate

  • Molecular FormulaC21H21NO4
  • Average mass351.396 Da
  • Monoisotopic mass351.147064 Da
  • ChemSpider ID21474146

More details:

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

1H-Indole-1-carboxylic acid, 3-formyl-7-(phenylmethoxy)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 7-(benzyloxy)-3-formyl-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-(benzyloxy)-3-formyl-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
7-(Benzyloxy)-3-formyl-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
914348-99-5 [RN]
tert-Butyl 7-(benzyloxy)-3-formyl-1H-indole-1-carboxylate
[914348-99-5] [RN]
1-(PHENYLMETHYL)ISOQUINOLINE
1-Benzylisoquinoline [ACD/IUPAC Name]
1-Boc-7-Benzyloxy-3-formylindole
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 511.7±58.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.3±3.0 kJ/mol
    Flash Point: 263.3±32.3 °C
    Index of Refraction: 1.568
    Molar Refractivity: 100.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.86
    ACD/LogD (pH 5.5): 4.85
    ACD/BCF (pH 5.5): 2837.42
    ACD/KOC (pH 5.5): 10308.57
    ACD/LogD (pH 7.4): 4.85
    ACD/BCF (pH 7.4): 2837.42
    ACD/KOC (pH 7.4): 10308.57
    Polar Surface Area: 58 Å2
    Polarizability: 39.7±0.5 10-24cm3
    Surface Tension: 41.5±7.0 dyne/cm
    Molar Volume: 306.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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