ChemSpider 2D Image | 3-(4-Fluorophenyl)-1,2-thiazole-4-carboxylic acid | C10H6FNO2S

3-(4-Fluorophenyl)-1,2-thiazole-4-carboxylic acid

  • Molecular FormulaC10H6FNO2S
  • Average mass223.223 Da
  • Monoisotopic mass223.010330 Da
  • ChemSpider ID24797792

More details:

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

3-(4-Fluorophenyl)-1,2-thiazole-4-carboxylic acid [ACD/IUPAC Name]
3-(4-Fluorphenyl)-1,2-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
4-Isothiazolecarboxylic acid, 3-(4-fluorophenyl)- [ACD/Index Name]
Acide 3-(4-fluorophényl)-1,2-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
1239761-97-7 [RN]
3-(4-Fluoro-phenyl)-isothiazole-4-carboxylic acid
MFCD16171712

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

Density: 1.4±0.1 g/cm3
Boiling Point: 271.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 118.0±22.3 °C
Index of Refraction: 1.621
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 154.2±3.0 cm3

Click to predict properties on the Chemicalize site


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