ChemSpider 2D Image | Ethyl (2E)-3-[4,6-dibromo-7-(4-ethoxy-4-oxobutoxy)-1-benzofuran-2-yl]-2-butenoate | C20H22Br2O6

Ethyl (2E)-3-[4,6-dibromo-7-(4-ethoxy-4-oxobutoxy)-1-benzofuran-2-yl]-2-butenoate

  • Molecular FormulaC20H22Br2O6
  • Average mass518.193 Da
  • Monoisotopic mass515.978271 Da
  • ChemSpider ID9527808

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4,6-Dibromo-7-(4-éthoxy-4-oxobutoxy)-1-benzofuran-2-yl]-2-buténoate d'éthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 3-[4,6-dibromo-7-(4-ethoxy-4-oxobutoxy)-2-benzofuranyl]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-3-[4,6-dibromo-7-(4-ethoxy-4-oxobutoxy)-1-benzofuran-2-yl]-2-butenoate [ACD/IUPAC Name]
Ethyl-(2E)-3-[4,6-dibrom-7-(4-ethoxy-4-oxobutoxy)-1-benzofuran-2-yl]-2-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 558.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.8±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 113.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8485.72
ACD/KOC (pH 5.5): 22581.12
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8485.72
ACD/KOC (pH 7.4): 22581.12
Polar Surface Area: 75 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 346.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement