ChemSpider 2D Image | 2-[2-Fluoro-3-(trifluoromethyl)phenoxy]-4-methyl-1,3-thiazole-5-carboxylic acid | C12H7F4NO3S

2-[2-Fluoro-3-(trifluoromethyl)phenoxy]-4-methyl-1,3-thiazole-5-carboxylic acid

  • Molecular FormulaC12H7F4NO3S
  • Average mass321.247 Da
  • Monoisotopic mass321.008270 Da
  • ChemSpider ID27455418

More details:

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

2-[2-Fluor-3-(trifluormethyl)phenoxy]-4-methyl-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-[2-Fluoro-3-(trifluoromethyl)phenoxy]-4-methyl-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[2-fluoro-3-(trifluoromethyl)phenoxy]-4-methyl- [ACD/Index Name]
Acide 2-[2-fluoro-3-(trifluorométhyl)phénoxy]-4-méthyl-1,3-thiazole-5-carboxylique [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: 422.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 209.4±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.03
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 88 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 209.2±3.0 cm3

Click to predict properties on the Chemicalize site


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