ChemSpider 2D Image | 2-methyl-4-(4-trifluoromethyl)phenyl thiazole-5-carboxylic acid | C12H8F3NO2S

2-methyl-4-(4-trifluoromethyl)phenyl thiazole-5-carboxylic acid

  • Molecular FormulaC12H8F3NO2S
  • Average mass287.258 Da
  • Monoisotopic mass287.022797 Da
  • ChemSpider ID21468982

More details:

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

2-methyl-4-(4-trifluoromethyl)phenyl thiazole-5-carboxylic acid
2-Methyl-4-[4-(trifluormethyl)phenyl]-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-Methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
2-Methyl-4-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid
5-Thiazolecarboxylic acid, 2-methyl-4-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
905807-83-2 [RN]
Acide 2-méthyl-4-[4-(trifluorométhyl)phényl]-1,3-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
MFCD08458048 [MDL number]

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 367.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 176.1±26.5 °C
Index of Refraction: 1.554
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.41
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.41
Polar Surface Area: 78 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 199.7±3.0 cm3

Click to predict properties on the Chemicalize site


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