ChemSpider 2D Image | tert-Butyl-6-brom-2,2,4-trimethylchinolin-1(2H)-carboxylat | C17H22BrNO2

tert-Butyl-6-brom-2,2,4-trimethylchinolin-1(2H)-carboxylat

  • Molecular FormulaC17H22BrNO2
  • Average mass352.266 Da
  • Monoisotopic mass351.083374 Da
  • ChemSpider ID11627862

More details:

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

1(2H)-Quinolinecarboxylic acid, 6-bromo-2,2,4-trimethyl-, 1,1-dimethylethyl ester [ACD/Index Name]
179894-35-0 [RN]
2-Methyl-2-propanyl 6-bromo-2,2,4-trimethyl-1(2H)-quinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-brom-2,2,4-trimethyl-1(2H)-chinolincarboxylat [German] [ACD/IUPAC Name]
6-Bromo-2,2,4-triméthyl-1(2H)-quinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6-Bromo-2,2,4-trimethyl-1(2H)-quinolinecarboxylic acid 1,1-dimethylethyl ester
tert-butyl 6-bromo-2,2,4-trimethylquinoline-1(2H)-carboxylate
tert-Butyl-6-brom-2,2,4-trimethylchinolin-1(2H)-carboxylat
6-Bromo-1-tert-butyloxycarbonyl-1,2-dihydro-2,2,4-trimethylquinoline
6-Bromo-2,2,4-trimethyl-2H-quinoline-1-carboxylic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 402.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.3±3.0 kJ/mol
    Flash Point: 197.0±28.7 °C
    Index of Refraction: 1.541
    Molar Refractivity: 88.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 6.19
    ACD/LogD (pH 5.5): 5.26
    ACD/BCF (pH 5.5): 5863.48
    ACD/KOC (pH 5.5): 17331.56
    ACD/LogD (pH 7.4): 5.26
    ACD/BCF (pH 7.4): 5863.50
    ACD/KOC (pH 7.4): 17331.58
    Polar Surface Area: 30 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 37.2±3.0 dyne/cm
    Molar Volume: 280.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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