ChemSpider 2D Image | LEFLUNOMIDE-D4 | C12H5D4F3N2O2

LEFLUNOMIDE-D4

  • Molecular FormulaC12H5D4F3N2O2
  • Average mass274.232 Da
  • Monoisotopic mass274.086731 Da
  • ChemSpider ID23936470
  • Non-standard isotope - Non-standard isotope


More details:






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

1189987-23-2 [RN]
4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl-2,3,5,6-d4]- [ACD/Index Name]
5-Methyl-N-[4-(trifluormethyl)(2H4)phenyl]-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Methyl-N-[4-(trifluoromethyl)(2H4)phenyl]-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
5-Méthyl-N-[4-(trifluorométhyl)(2H4)phényl]-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
LEFLUNOMIDE-D4
5-methyl-N-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
5-Methyl-N-[4(trifluoromethyl)phenyl]-4-isoxazolecarboxamide
Leflunomide-d4 (phenyl-d4)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 289.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.9±3.0 kJ/mol
Flash Point: 128.8±27.3 °C
Index of Refraction: 1.541
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.82
ACD/KOC (pH 5.5): 376.21
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.81
ACD/KOC (pH 7.4): 376.18
Polar Surface Area: 55 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 194.1±3.0 cm3

Click to predict properties on the Chemicalize site






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