ChemSpider 2D Image | 4-Fluoro-3-hydroxy-1-benzothiophene-7-carbaldehyde | C9H5FO2S

4-Fluoro-3-hydroxy-1-benzothiophene-7-carbaldehyde

  • Molecular FormulaC9H5FO2S
  • Average mass196.198 Da
  • Monoisotopic mass195.999435 Da
  • ChemSpider ID61278461

More details:

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

4-Fluor-3-hydroxy-1-benzothiophen-7-carbaldehyd [German] [ACD/IUPAC Name]
4-Fluoro-3-hydroxy-1-benzothiophene-7-carbaldehyde [ACD/IUPAC Name]
4-Fluoro-3-hydroxy-1-benzothiophène-7-carbaldéhyde [French] [ACD/IUPAC Name]
Benzo[b]thiophene-7-carboxaldehyde, 4-fluoro-3-hydroxy- [ACD/Index Name]
1935037-08-3 [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: 390.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 190.0±26.5 °C
Index of Refraction: 1.735
Molar Refractivity: 51.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.15
ACD/KOC (pH 5.5): 496.39
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 21.87
ACD/KOC (pH 7.4): 263.77
Polar Surface Area: 66 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 127.3±3.0 cm3

Click to predict properties on the Chemicalize site


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