ChemSpider 2D Image | 2-[{4-[(E)-(Hydroxyimino)methyl]-5-iodo-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}(1-methylcyclopropyl)methyl]-4,5-dimethylphenol | C21H28IN3O2

2-[{4-[(E)-(Hydroxyimino)methyl]-5-iodo-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}(1-methylcyclopropyl)methyl]-4,5-dimethylphenol

  • Molecular FormulaC21H28IN3O2
  • Average mass481.370 Da
  • Monoisotopic mass481.122620 Da
  • ChemSpider ID122492256

More details:

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

1H-Pyrazole-4-carboxaldehyde, 3-(1,1-dimethylethyl)-1-[(2-hydroxy-4,5-dimethylphenyl)(1-methylcyclopropyl)methyl]-5-iodo-, oxime [ACD/Index Name]
2-[{4-[(E)-(Hydroxyimino)methyl]-5-iod-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}(1-methylcyclopropyl)methyl]-4,5-dimethylphenol [German] [ACD/IUPAC Name]
2-[{4-[(E)-(Hydroxyimino)methyl]-5-iodo-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}(1-methylcyclopropyl)methyl]-4,5-dimethylphenol [ACD/IUPAC Name]
2-[{4-[(E)-(Hydroxyimino)méthyl]-5-iodo-3-(2-méthyl-2-propanyl)-1H-pyrazol-1-yl}(1-méthylcyclopropyl)méthyl]-4,5-diméthylphénol [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 568.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14410.50
ACD/KOC (pH 5.5): 32988.53
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14349.63
ACD/KOC (pH 7.4): 32849.20
Polar Surface Area: 71 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 322.9±7.0 cm3

Click to predict properties on the Chemicalize site


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