ChemSpider 2D Image | 7-{[4-Bromo(~2~H_8_)butyl]oxy}-3,4-dihydro-2(1H)-quinolinone | C13H8D8BrNO2

7-{[4-Bromo(2H8)butyl]oxy}-3,4-dihydro-2(1H)-quinolinone

  • Molecular FormulaC13H8D8BrNO2
  • Average mass306.225 Da
  • Monoisotopic mass305.086639 Da
  • ChemSpider ID48058922

  • Non-standard isotope - Non-standard isotope

More details:

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

2(1H)-Quinolinone, 7-[(4-bromobutyl-1,1,2,2,3,3,4,4-d8)oxy]-3,4-dihydro- [ACD/Index Name]
7-{[4-Brom(2H8)butyl]oxy}-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
7-{[4-Bromo(2H8)butyl]oxy}-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
7-{[4-Bromo(2H8)butyl]oxy}-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
1215336-46-1 [RN]
7-(4-bromo-1,1,2,2,3,3,4,4-octadeuteriobutoxy)-3,4-dihydro-1H-quinolin-2-one
7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one-d8

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 463.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.5±3.0 kJ/mol
    Flash Point: 234.1±28.7 °C
    Index of Refraction: 1.565
    Molar Refractivity: 70.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 3.22
    ACD/BCF (pH 5.5): 163.64
    ACD/KOC (pH 5.5): 1337.52
    ACD/LogD (pH 7.4): 3.22
    ACD/BCF (pH 7.4): 163.64
    ACD/KOC (pH 7.4): 1337.57
    Polar Surface Area: 38 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 44.8±3.0 dyne/cm
    Molar Volume: 215.5±3.0 cm3

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