ChemSpider 2D Image | (3E)-4-[5,7-Diiodo-3-(5-methyl-2-furyl)-1-benzofuran-2-yl]-3-buten-2-one | C17H12I2O3

(3E)-4-[5,7-Diiodo-3-(5-methyl-2-furyl)-1-benzofuran-2-yl]-3-buten-2-one

  • Molecular FormulaC17H12I2O3
  • Average mass518.084 Da
  • Monoisotopic mass517.887573 Da
  • ChemSpider ID8681488

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-[5,7-Diiod-3-(5-methyl-2-furyl)-1-benzofuran-2-yl]-3-buten-2-on [German] [ACD/IUPAC Name]
(3E)-4-[5,7-Diiodo-3-(5-methyl-2-furyl)-1-benzofuran-2-yl]-3-buten-2-one [ACD/IUPAC Name]
(3E)-4-[5,7-Diiodo-3-(5-méthyl-2-furyl)-1-benzofuran-2-yl]-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 4-[5,7-diiodo-3-(5-methyl-2-furanyl)-2-benzofuranyl]-, (3E)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 381.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.4±26.5 °C
Index of Refraction: 1.703
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8134.11
ACD/KOC (pH 5.5): 21907.38
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8134.11
ACD/KOC (pH 7.4): 21907.38
Polar Surface Area: 43 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 269.4±3.0 cm3

Click to predict properties on the Chemicalize site


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