ChemSpider 2D Image | Methyl 3-(4-fluorophenyl)-2-thiophenecarboxylate | C12H9FO2S

Methyl 3-(4-fluorophenyl)-2-thiophenecarboxylate

  • Molecular FormulaC12H9FO2S
  • Average mass236.262 Da
  • Monoisotopic mass236.030731 Da
  • ChemSpider ID57605340

More details:

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

2-Thiophenecarboxylic acid, 3-(4-fluorophenyl)-, methyl ester [ACD/Index Name]
3-(4-Fluorophényl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-fluorophenyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-(4-fluorphenyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
1332980-88-7 [RN]
methyl 3-(4-fluorophenyl)thiophene-2-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 324.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.2±25.1 °C
Index of Refraction: 1.569
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 298.60
ACD/KOC (pH 5.5): 2057.17
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 298.60
ACD/KOC (pH 7.4): 2057.17
Polar Surface Area: 55 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 186.3±3.0 cm3

Click to predict properties on the Chemicalize site


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