ChemSpider 2D Image | 2-[(E)-{[(2R)-1-Hydroxy-3,3-dimethyl-2-butanyl]imino}methyl]-4,6-diiodophenol | C13H17I2NO2

2-[(E)-{[(2R)-1-Hydroxy-3,3-dimethyl-2-butanyl]imino}methyl]-4,6-diiodophenol

  • Molecular FormulaC13H17I2NO2
  • Average mass473.089 Da
  • Monoisotopic mass472.934845 Da
  • ChemSpider ID28412324
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:



Featured data source



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2-[(E)-{[(2R)-1-Hydroxy-3,3-dimethyl-2-butanyl]imino}methyl]-4,6-diiodophenol [ACD/IUPAC Name]
2-[(E)-{[(2R)-1-Hydroxy-3,3-diméthyl-2-butanyl]imino}méthyl]-4,6-diiodophénol [French] [ACD/IUPAC Name]
2-[(E)-{[(2R)-1-Hydroxy-3,3-dimethyl-2-butanyl]imino}methyl]-4,6-diiodphenol [German] [ACD/IUPAC Name]
Phenol, 2-[(E)-[[(1R)-1-(hydroxymethyl)-2,2-dimethylpropyl]imino]methyl]-4,6-diiodo- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 441.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 220.7±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 89.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 175.32
ACD/KOC (pH 5.5): 644.46
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 175.26
ACD/KOC (pH 7.4): 644.24
Polar Surface Area: 53 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 250.7±7.0 cm3

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