ChemSpider 2D Image | 5-Iodo-4-(2-methyl-2-propanyl)-2-(2,2,2-trifluoroethoxy)nicotinic acid | C12H13F3INO3

5-Iodo-4-(2-methyl-2-propanyl)-2-(2,2,2-trifluoroethoxy)nicotinic acid

  • Molecular FormulaC12H13F3INO3
  • Average mass403.136 Da
  • Monoisotopic mass402.989227 Da
  • ChemSpider ID64816723

More details:

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

3-Pyridinecarboxylic acid, 4-(1,1-dimethylethyl)-5-iodo-2-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
5-Iod-4-(2-methyl-2-propanyl)-2-(2,2,2-trifluorethoxy)nicotinsäure [German] [ACD/IUPAC Name]
5-Iodo-4-(2-methyl-2-propanyl)-2-(2,2,2-trifluoroethoxy)nicotinic acid [ACD/IUPAC Name]
Acide 5-iodo-4-(2-méthyl-2-propanyl)-2-(2,2,2-trifluoroéthoxy)nicotinique [French] [ACD/IUPAC Name]
4-tert-butyl-5-iodo-2-(2,2,2-trifluoroethoxy)nicotinic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 391.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 190.8±27.9 °C
Index of Refraction: 1.529
Molar Refractivity: 74.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.93
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.49
Polar Surface Area: 59 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 240.8±3.0 cm3

Click to predict properties on the Chemicalize site


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