ChemSpider 2D Image | 2-Fluoro-6-hydroxy-4-{3-[(2-hydroxyethyl)sulfanyl]-1-propyn-1-yl}benzaldehyde | C12H11FO3S

2-Fluoro-6-hydroxy-4-{3-[(2-hydroxyethyl)sulfanyl]-1-propyn-1-yl}benzaldehyde

  • Molecular FormulaC12H11FO3S
  • Average mass254.277 Da
  • Monoisotopic mass254.041290 Da
  • ChemSpider ID81601358

More details:

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

2-Fluor-6-hydroxy-4-{3-[(2-hydroxyethyl)sulfanyl]-1-propin-1-yl}benzaldehyd [German] [ACD/IUPAC Name]
2-Fluoro-6-hydroxy-4-{3-[(2-hydroxyethyl)sulfanyl]-1-propyn-1-yl}benzaldehyde [ACD/IUPAC Name]
2-Fluoro-6-hydroxy-4-{3-[(2-hydroxyéthyl)sulfanyl]-1-propyn-1-yl}benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 2-fluoro-6-hydroxy-4-[3-[(2-hydroxyethyl)thio]-1-propyn-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 436.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 217.7±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 75.58
ACD/KOC (pH 5.5): 748.85
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 9.34
ACD/KOC (pH 7.4): 92.54
Polar Surface Area: 83 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 182.1±5.0 cm3

Click to predict properties on the Chemicalize site


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