ChemSpider 2D Image | tert-Butyl 3-formyl-7-nitro-1H-indole-1-carboxylate | C14H14N2O5

tert-Butyl 3-formyl-7-nitro-1H-indole-1-carboxylate

  • Molecular FormulaC14H14N2O5
  • Average mass290.271 Da
  • Monoisotopic mass290.090271 Da
  • ChemSpider ID21474143

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

1,1-Dimethylethyl 3-formyl-7-nitro-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 3-formyl-7-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-formyl-7-nitro-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-formyl-7-nitro-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
3-Formyl-7-nitro-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
914348-97-3 [RN]
tert-Butyl 3-formyl-7-nitro-1H-indole-1-carboxylate
[914348-97-3] [RN]
1-Boc-7-Nitro-3-formylindole
7-Nitro-3-formylindole N-BOC protected
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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: 1.3±0.1 g/cm3
    Boiling Point: 454.7±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 228.8±29.6 °C
    Index of Refraction: 1.591
    Molar Refractivity: 74.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 2.67
    ACD/BCF (pH 5.5): 62.98
    ACD/KOC (pH 5.5): 675.25
    ACD/LogD (pH 7.4): 2.67
    ACD/BCF (pH 7.4): 62.98
    ACD/KOC (pH 7.4): 675.25
    Polar Surface Area: 94 Å2
    Polarizability: 29.6±0.5 10-24cm3
    Surface Tension: 50.0±7.0 dyne/cm
    Molar Volume: 221.0±7.0 cm3

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