ChemSpider 2D Image | Ethyl 2-fluoro-3-[(4-methoxybenzyl)sulfanyl]benzoate | C17H17FO3S

Ethyl 2-fluoro-3-[(4-methoxybenzyl)sulfanyl]benzoate

  • Molecular FormulaC17H17FO3S
  • Average mass320.379 Da
  • Monoisotopic mass320.088257 Da
  • ChemSpider ID114876258

More details:

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

2-Fluoro-3-[(4-méthoxybenzyl)sulfanyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-fluoro-3-[[(4-methoxyphenyl)methyl]thio]-, ethyl ester [ACD/Index Name]
Ethyl 2-fluoro-3-[(4-methoxybenzyl)sulfanyl]benzoate [ACD/IUPAC Name]
Ethyl-2-fluor-3-[(4-methoxybenzyl)sulfanyl]benzoat [German] [ACD/IUPAC Name]
1359983-12-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 433.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.0±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2189.11
ACD/KOC (pH 5.5): 8561.69
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2189.11
ACD/KOC (pH 7.4): 8561.69
Polar Surface Area: 61 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 259.2±5.0 cm3

Click to predict properties on the Chemicalize site


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