ChemSpider 2D Image | sec-Butyl (3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-2-benzofuran-1-yl)acetate | C27H31I2NO5

sec-Butyl (3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-2-benzofuran-1-yl)acetate

  • Molecular FormulaC27H31I2NO5
  • Average mass703.348 Da
  • Monoisotopic mass703.029114 Da
  • ChemSpider ID28594143

More details:

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

(3-{4-[2-(Diéthylamino)éthoxy]-3,5-diiodobenzoyl}-2-benzofuran-1-yl)acétate de sec-butyle [French] [ACD/IUPAC Name]
1-Isobenzofuranacetic acid, 3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-, 1-methylpropyl ester [ACD/Index Name]
sec-Butyl (3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-2-benzofuran-1-yl)acetate [ACD/IUPAC Name]
sec-Butyl-(3-{4-[2-(diethylamino)ethoxy]-3,5-diiodbenzoyl}-2-benzofuran-1-yl)acetat [German] [ACD/IUPAC Name]
2-benzofuranacetic acid, 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)-, 1-methylpropyl ester
32701-17-0 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 676.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.8±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 118.71
ACD/KOC (pH 5.5): 146.15
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 1453.80
ACD/KOC (pH 7.4): 1789.84
Polar Surface Area: 69 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 445.1±3.0 cm3

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