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Search term: MF = 'C_{15}H_{17}FO_{3}S'
ChemSpider 2D Image | 4-Fluoro-3-(5-oxaspiro[3.5]non-8-ylsulfanyl)benzoic acid | C15H17FO3S

4-Fluoro-3-(5-oxaspiro[3.5]non-8-ylsulfanyl)benzoic acid

  • Molecular FormulaC15H17FO3S
  • Average mass296.357 Da
  • Monoisotopic mass296.088257 Da
  • ChemSpider ID35967153

More details:

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

4-Fluor-3-(5-oxaspiro[3.5]non-8-ylsulfanyl)benzoesäure [German] [ACD/IUPAC Name]
4-Fluoro-3-(5-oxaspiro[3.5]non-8-ylsulfanyl)benzoic acid [ACD/IUPAC Name]
Acide 4-fluoro-3-(5-oxaspiro[3.5]non-8-ylsulfanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-3-(5-oxaspiro[3.5]non-8-ylthio)- [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: 457.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 230.2±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 11.73
ACD/KOC (pH 5.5): 72.23
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.84
Polar Surface Area: 72 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 220.1±5.0 cm3

Click to predict properties on the Chemicalize site


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