ChemSpider 2D Image | tert-Butyl 4-bromoindoline-1-carboxylate | C13H16BrNO2

tert-Butyl 4-bromoindoline-1-carboxylate

  • Molecular FormulaC13H16BrNO2
  • Average mass298.176 Da
  • Monoisotopic mass297.036438 Da
  • ChemSpider ID26403725

More details:

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

1,1-Dimethylethyl 4-bromo-2,3-dihydro-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 4-bromo-2,3-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-bromo-1-indolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-brom-1-indolincarboxylat [German] [ACD/IUPAC Name]
4-Bromo-1-indolinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
885272-46-8 [RN]
tert-Butyl 4-bromoindoline-1-carboxylate
[885272-46-8] [RN]
1927-25-9 [RN]
1H-Indole-1-carboxylic acid, 4-bromo-2,3-dihydro-,
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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: 362.0±41.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 172.7±27.6 °C
    Index of Refraction: 1.570
    Molar Refractivity: 69.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.34
    ACD/LogD (pH 5.5): 4.04
    ACD/BCF (pH 5.5): 694.44
    ACD/KOC (pH 5.5): 3763.96
    ACD/LogD (pH 7.4): 4.04
    ACD/BCF (pH 7.4): 694.44
    ACD/KOC (pH 7.4): 3763.96
    Polar Surface Area: 30 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 213.0±3.0 cm3

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