ChemSpider 2D Image | (2Z)-2-[(6-Bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate | C21H17BrO6

(2Z)-2-[(6-Bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate

  • Molecular FormulaC21H17BrO6
  • Average mass445.260 Da
  • Monoisotopic mass444.020844 Da
  • ChemSpider ID21827918

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[(6-Brom-4H-1,3-benzodioxin-8-yl)methylen]-3-oxo-2,3-dihydro-1-benzofuran-6-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
(2Z)-2-[(6-Bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate [ACD/IUPAC Name]
2-Méthylpropanoate de (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)méthylène]-3-oxo-2,3-dihydro-1-benzofuran-6-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-2,3-dihydro-3-oxo-6-benzofuranyl ester [ACD/Index Name]
(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate
(Z)-2-((6-bromo-4H-benzo[d][1,3]dioxin-8-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate
[(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
2-[(6-bromo(2H,4H-benzo[e]1,3-dioxan-8-yl))methylene]-3-oxobenzo[3,4-b]furan-6 -yl 2-methylpropanoate
929440-11-9 [RN]
AKOS002296169
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 616.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.5±3.0 kJ/mol
    Flash Point: 326.8±31.5 °C
    Index of Refraction: 1.646
    Molar Refractivity: 105.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.04
    ACD/LogD (pH 5.5): 3.95
    ACD/BCF (pH 5.5): 592.56
    ACD/KOC (pH 5.5): 3359.87
    ACD/LogD (pH 7.4): 3.95
    ACD/BCF (pH 7.4): 592.56
    ACD/KOC (pH 7.4): 3359.87
    Polar Surface Area: 71 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 56.9±3.0 dyne/cm
    Molar Volume: 290.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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