ChemSpider 2D Image | 3-(5-Fluoro-2-thienyl)propanoic acid | C7H7FO2S

3-(5-Fluoro-2-thienyl)propanoic acid

  • Molecular FormulaC7H7FO2S
  • Average mass174.193 Da
  • Monoisotopic mass174.015076 Da
  • ChemSpider ID45459924

More details:

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

2-Thiophenepropanoic acid, 5-fluoro- [ACD/Index Name]
3-(5-Fluor-2-thienyl)propansäure [German] [ACD/IUPAC Name]
3-(5-Fluoro-2-thienyl)propanoic acid [ACD/IUPAC Name]
Acide 3-(5-fluoro-2-thiényl)propanoïque [French] [ACD/IUPAC Name]
1779859-49-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 276.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 121.2±23.2 °C
Index of Refraction: 1.548
Molar Refractivity: 40.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.58
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 127.1±3.0 cm3

Click to predict properties on the Chemicalize site


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