ChemSpider 2D Image | phenobutiodil | C10H9I3O3

phenobutiodil

  • Molecular FormulaC10H9I3O3
  • Average mass557.890 Da
  • Monoisotopic mass557.768555 Da
  • ChemSpider ID10656

More details:

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

1-(2,4,6-Triiodophenoxy)propanecarboxylic Acid
2-(2,4,6-Triiodophenoxy)butanoic acid [ACD/IUPAC Name]
2-(2,4,6-Triiodphenoxy)butansäure [German] [ACD/IUPAC Name]
209-065-1 [EINECS]
554-24-5 [RN]
a-(2,4,6-Triiodophenoxy)butyric Acid
Acide 2-(2,4,6-triiodophénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-(2,4,6-triiodophenoxy)- [ACD/Index Name]
phenobutiodil [INN]
phénobutiodil [French] [INN]
More...

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

473 [DBID]
67F5J7GUUR [DBID]
UNII:67F5J7GUUR [DBID]
BRN 2283687 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 529.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.8±30.1 °C
Index of Refraction: 1.704
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 3.01
ACD/KOC (pH 5.5): 14.39
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 47 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

Click to predict properties on the Chemicalize site


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