ChemSpider 2D Image | [4-(Trifluoromethyl)-1,3-thiazol-2-yl]methyl nicotinate | C11H7F3N2O2S

[4-(Trifluoromethyl)-1,3-thiazol-2-yl]methyl nicotinate

  • Molecular FormulaC11H7F3N2O2S
  • Average mass288.246 Da
  • Monoisotopic mass288.018036 Da
  • ChemSpider ID35186373

More details:

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

[4-(Trifluormethyl)-1,3-thiazol-2-yl]methyl-nicotinat [German] [ACD/IUPAC Name]
[4-(Trifluoromethyl)-1,3-thiazol-2-yl]methyl nicotinate [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, [4-(trifluoromethyl)-2-thiazolyl]methyl ester [ACD/Index Name]
Nicotinate de [4-(trifluorométhyl)-1,3-thiazol-2-yl]méthyle [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: 375.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 180.9±27.9 °C
Index of Refraction: 1.541
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.85
ACD/KOC (pH 5.5): 423.52
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.93
ACD/KOC (pH 7.4): 424.54
Polar Surface Area: 80 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 197.5±3.0 cm3

Click to predict properties on the Chemicalize site


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