ChemSpider 2D Image | 3-Fluoro-4-[3-(phenylsulfanyl)-2-propyn-1-yl]benzoic acid | C16H11FO2S

3-Fluoro-4-[3-(phenylsulfanyl)-2-propyn-1-yl]benzoic acid

  • Molecular FormulaC16H11FO2S
  • Average mass286.321 Da
  • Monoisotopic mass286.046387 Da
  • ChemSpider ID93111866

More details:

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

3-Fluor-4-[3-(phenylsulfanyl)-2-propin-1-yl]benzoesäure [German] [ACD/IUPAC Name]
3-Fluoro-4-[3-(phenylsulfanyl)-2-propyn-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 3-fluoro-4-[3-(phénylsulfanyl)-2-propyn-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-[3-(phenylthio)-2-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: 472.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 239.3±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 76.72
ACD/KOC (pH 5.5): 253.48
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 12.40
Polar Surface Area: 63 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 211.9±5.0 cm3

Click to predict properties on the Chemicalize site


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