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Search term: VBTLLLSHRUKTLU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(4-Hydroxy-3,5-diiodophenyl)-2-imino-1,1-propanediol | C9H9I2NO3

3-(4-Hydroxy-3,5-diiodophenyl)-2-imino-1,1-propanediol

  • Molecular FormulaC9H9I2NO3
  • Average mass432.982 Da
  • Monoisotopic mass432.867157 Da
  • ChemSpider ID95682689

More details:

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

1,1-Propanediol, 3-(4-hydroxy-3,5-diiodophenyl)-2-imino- [ACD/Index Name]
3-(4-Hydroxy-3,5-diiodophenyl)-2-imino-1,1-propanediol [ACD/IUPAC Name]
3-(4-Hydroxy-3,5-diiodophényl)-2-imino-1,1-propanediol [French] [ACD/IUPAC Name]
3-(4-Hydroxy-3,5-diiodphenyl)-2-imino-1,1-propandiol [German] [ACD/IUPAC Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 444.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 222.5±28.7 °C
Index of Refraction: 1.762
Molar Refractivity: 71.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.78
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 31.86
Polar Surface Area: 85 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 172.8±7.0 cm3

Click to predict properties on the Chemicalize site


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