ChemSpider 2D Image | 6-Fluoro-5-hydroxy-1-benzothiophene-3-carbaldehyde | C9H5FO2S

6-Fluoro-5-hydroxy-1-benzothiophene-3-carbaldehyde

  • Molecular FormulaC9H5FO2S
  • Average mass196.198 Da
  • Monoisotopic mass195.999435 Da
  • ChemSpider ID61308768

More details:

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

6-Fluor-5-hydroxy-1-benzothiophen-3-carbaldehyd [German] [ACD/IUPAC Name]
6-Fluoro-5-hydroxy-1-benzothiophene-3-carbaldehyde [ACD/IUPAC Name]
6-Fluoro-5-hydroxy-1-benzothiophène-3-carbaldéhyde [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxaldehyde, 6-fluoro-5-hydroxy- [ACD/Index Name]
1934692-06-4 [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: 364.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 174.1±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: 3.29
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.88
ACD/KOC (pH 5.5): 500.40
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 13.67
ACD/KOC (pH 7.4): 163.40
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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