ChemSpider 2D Image | 4-{[4-Fluoro-3-(trifluoromethyl)phenoxy]methyl}-1,3-thiazole-2-carboxylic acid | C12H7F4NO3S

4-{[4-Fluoro-3-(trifluoromethyl)phenoxy]methyl}-1,3-thiazole-2-carboxylic acid

  • Molecular FormulaC12H7F4NO3S
  • Average mass321.247 Da
  • Monoisotopic mass321.008270 Da
  • ChemSpider ID51907660

More details:

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

2-Thiazolecarboxylic acid, 4-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]- [ACD/Index Name]
4-{[4-Fluor-3-(trifluormethyl)phenoxy]methyl}-1,3-thiazol-2-carbonsäure [German] [ACD/IUPAC Name]
4-{[4-Fluoro-3-(trifluoromethyl)phenoxy]methyl}-1,3-thiazole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-{[4-fluoro-3-(trifluorométhyl)phénoxy]méthyl}-1,3-thiazole-2-carboxylique [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: 459.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.6±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.07
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 88 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 207.1±3.0 cm3

Click to predict properties on the Chemicalize site


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