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

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

  • Molecular FormulaC21H28IN3O2
  • Average mass481.370 Da
  • Monoisotopic mass481.122620 Da
  • ChemSpider ID122492000

More details:

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

1H-Pyrazole-4-carboxaldehyde, 1-[cyclobutyl(2-hydroxy-4,5-dimethylphenyl)methyl]-3-(1,1-dimethylethyl)-5-iodo-, oxime [ACD/Index Name]
2-(Cyclobutyl{4-[(E)-(hydroxyimino)methyl]-5-iod-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}methyl)-4,5-dimethylphenol [German] [ACD/IUPAC Name]
2-(Cyclobutyl{4-[(E)-(hydroxyimino)methyl]-5-iodo-3-(2-methyl-2-propanyl)-1H-pyrazol-1-yl}methyl)-4,5-dimethylphenol [ACD/IUPAC Name]
2-(Cyclobutyl{4-[(E)-(hydroxyimino)méthyl]-5-iodo-3-(2-méthyl-2-propanyl)-1H-pyrazol-1-yl}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: 581.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 115.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19629.78
ACD/KOC (pH 5.5): 41157.41
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19552.08
ACD/KOC (pH 7.4): 40994.51
Polar Surface Area: 71 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 318.4±7.0 cm3

Click to predict properties on the Chemicalize site


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