ChemSpider 2D Image | Benziodarone | C17H12I2O3

Benziodarone

  • Molecular FormulaC17H12I2O3
  • Average mass518.084 Da
  • Monoisotopic mass517.887573 Da
  • ChemSpider ID6001

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

(2-Ethyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone [ACD/IUPAC Name]
(2-Éthyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodophényl)méthanone [French] [ACD/IUPAC Name]
(2-Ethyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodphenyl)methanon [German] [ACD/IUPAC Name]
200-695-2 [EINECS]
2329 Labaz
2-Ethyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
2-Ethyl-3-(3,5-diiodo-4-hydroxybenzoyl)coumarone
2-Ethyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)oxaindene
2-Ethyl-3-(4-hydroxy-3,5-diiodobenzoyl)benzofuran
2-Ethyl-3-benzofuranyl 4-Hydroxy-3,5-diiodophenyl Methanone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1257683 [DBID]
D01833 [DBID]
L 2329 [DBID]
NSC 82133 [DBID]
NSC82133 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 518.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.727
Molar Refractivity: 103.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 3811.85
ACD/KOC (pH 5.5): 7775.06
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 73.14
ACD/KOC (pH 7.4): 149.18
Polar Surface Area: 50 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 259.9±3.0 cm3

Click to predict properties on the Chemicalize site