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Search term: YJBPXWGRNLSKSX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[4-(2-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-imino-1,1-propanediol | C15H11I4NO4

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

  • Molecular FormulaC15H11I4NO4
  • Average mass776.870 Da
  • Monoisotopic mass776.686646 Da
  • ChemSpider ID95582615

More details:

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

1,1-Propanediol, 3-[4-(2-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-imino- [ACD/Index Name]
3-[4-(2-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-imino-1,1-propanediol [ACD/IUPAC Name]
3-[4-(2-Hydroxy-3,5-diiodophénoxy)-3,5-diiodophényl]-2-imino-1,1-propanediol [French] [ACD/IUPAC Name]
3-[4-(2-Hydroxy-3,5-diiodphenoxy)-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: 2.7±0.1 g/cm3
Boiling Point: 617.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction: 1.820
Molar Refractivity: 123.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 125.45
ACD/KOC (pH 5.5): 476.00
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 326.94
ACD/KOC (pH 7.4): 1240.50
Polar Surface Area: 94 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 282.6±7.0 cm3

Click to predict properties on the Chemicalize site


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