Found 408 results

Search term: MF = 'C_{15}H_{17}FO_{3}S'
ChemSpider 2D Image | 4-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}cyclohexanecarboxylic acid | C15H17FO3S

4-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}cyclohexanecarboxylic acid

  • Molecular FormulaC15H17FO3S
  • Average mass296.357 Da
  • Monoisotopic mass296.088257 Da
  • ChemSpider ID44781190

More details:

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

4-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}cyclohexanecarboxylic acid [ACD/IUPAC Name]
4-{[2-(4-Fluorphenyl)-2-oxoethyl]sulfanyl}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
Acide 4-{[2-(4-fluorophényl)-2-oxoéthyl]sulfanyl}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[2-(4-fluorophenyl)-2-oxoethyl]thio]- [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: 484.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 246.6±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 76.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 24.16
ACD/KOC (pH 5.5): 190.48
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.01
Polar Surface Area: 80 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 230.4±5.0 cm3

Click to predict properties on the Chemicalize site


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