ChemSpider 2D Image | 4-Fluoro-2-methoxy-3-[3-(methylsulfanyl)-1-propyn-1-yl]benzoic acid | C12H11FO3S

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

  • Molecular FormulaC12H11FO3S
  • Average mass254.277 Da
  • Monoisotopic mass254.041290 Da
  • ChemSpider ID84670124

More details:

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

4-Fluor-2-methoxy-3-[3-(methylsulfanyl)-1-propin-1-yl]benzoesäure [German] [ACD/IUPAC Name]
4-Fluoro-2-methoxy-3-[3-(methylsulfanyl)-1-propyn-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-fluoro-2-méthoxy-3-[3-(méthylsulfanyl)-1-propyn-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-2-methoxy-3-[3-(methylthio)-1-propyn-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 401.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 196.7±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 31.12
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.53
Polar Surface Area: 72 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 190.7±5.0 cm3

Click to predict properties on the Chemicalize site


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