ChemSpider 2D Image | tert-Butyl 6-nitro-1H-indole-1-carboxylate | C13H14N2O4

tert-Butyl 6-nitro-1H-indole-1-carboxylate

  • Molecular FormulaC13H14N2O4
  • Average mass262.261 Da
  • Monoisotopic mass262.095367 Da
  • ChemSpider ID11256279

More details:

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

1H-Indole-1-carboxylic acid, 6-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
219552-64-4 [RN]
2-Methyl-2-propanyl 6-nitro-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-nitro-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
6-Nitro-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 6-nitro-1H-indole-1-carboxylate
[219552-64-4] [RN]
1-BOC-6-nitroindole
DS-15802
MFCD18206164 [MDL number]
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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: 395.3±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.9±25.7 °C
    Index of Refraction: 1.581
    Molar Refractivity: 69.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 3.55
    ACD/BCF (pH 5.5): 294.58
    ACD/KOC (pH 5.5): 2037.33
    ACD/LogD (pH 7.4): 3.55
    ACD/BCF (pH 7.4): 294.58
    ACD/KOC (pH 7.4): 2037.33
    Polar Surface Area: 77 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 47.0±7.0 dyne/cm
    Molar Volume: 207.6±7.0 cm3

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