ChemSpider 2D Image | 3-(2-Methyl-4-nitro-1H-imidazol-1-yl)-1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]-1-propanone | C13H17F3N4O4

3-(2-Methyl-4-nitro-1H-imidazol-1-yl)-1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]-1-propanone

  • Molecular FormulaC13H17F3N4O4
  • Average mass350.294 Da
  • Monoisotopic mass350.120178 Da
  • ChemSpider ID30385848

More details:

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

1-Propanone, 3-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]- [ACD/Index Name]
3-(2-Methyl-4-nitro-1H-imidazol-1-yl)-1-[2-(2,2,2-trifluor-1-hydroxyethyl)-1-pyrrolidinyl]-1-propanon [German] [ACD/IUPAC Name]
3-(2-Methyl-4-nitro-1H-imidazol-1-yl)-1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]-1-propanone [ACD/IUPAC Name]
3-(2-Méthyl-4-nitro-1H-imidazol-1-yl)-1-[2-(2,2,2-trifluoro-1-hydroxyéthyl)-1-pyrrolidinyl]-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 575.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 301.7±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 75.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 64.58
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 64.58
Polar Surface Area: 104 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 224.3±7.0 cm3

Click to predict properties on the Chemicalize site


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