ChemSpider 2D Image | 3-Fluoro-1-benzothiophene-5-carboxylic acid | C9H5FO2S

3-Fluoro-1-benzothiophene-5-carboxylic acid

  • Molecular FormulaC9H5FO2S
  • Average mass196.198 Da
  • Monoisotopic mass195.999435 Da
  • ChemSpider ID49570887

More details:

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

3-Fluor-1-benzothiophen-5-carbonsäure [German] [ACD/IUPAC Name]
3-Fluoro-1-benzothiophene-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-fluoro-1-benzothiophène-5-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-5-carboxylic acid, 3-fluoro- [ACD/Index Name]
1782558-06-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 379.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 183.2±22.3 °C
Index of Refraction: 1.686
Molar Refractivity: 49.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 4.71
ACD/KOC (pH 5.5): 39.63
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 66 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 129.8±3.0 cm3

Click to predict properties on the Chemicalize site


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