ChemSpider 2D Image | {3,5-Diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}acetic acid | C14H9I3O7S

{3,5-Diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}acetic acid

  • Molecular FormulaC14H9I3O7S
  • Average mass701.995 Da
  • Monoisotopic mass701.720276 Da
  • ChemSpider ID111925

More details:

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

{3,5-Diiod-4-[3-iod-4-(sulfooxy)phenoxy]phenyl}essigsäure [German] [ACD/IUPAC Name]
{3,5-Diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}acetic acid [ACD/IUPAC Name]
Acide {3,5-diiodo-4-[3-iodo-4-(sulfooxy)phénoxy]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]- [ACD/Index Name]
3,3',5-triiodothyroacetic acid sulfate
95786-11-1 [RN]
Acetic acid, (4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-, hydrogen sulfate
TA3 Sulfate

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.759
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 81.5±3.0 dyne/cm
Molar Volume: 279.7±3.0 cm3

Click to predict properties on the Chemicalize site


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