ChemSpider 2D Image | 3-Bromo-6-(4-fluorophenyl)-4-(methylsulfanyl)-2H-pyran-2-one | C12H8BrFO2S

3-Bromo-6-(4-fluorophenyl)-4-(methylsulfanyl)-2H-pyran-2-one

  • Molecular FormulaC12H8BrFO2S
  • Average mass315.158 Da
  • Monoisotopic mass313.941223 Da
  • ChemSpider ID23192464

More details:

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

2H-Pyran-2-one, 3-bromo-6-(4-fluorophenyl)-4-(methylthio)- [ACD/Index Name]
3-Brom-6-(4-fluorphenyl)-4-(methylsulfanyl)-2H-pyran-2-on [German] [ACD/IUPAC Name]
3-Bromo-6-(4-fluorophenyl)-4-(methylsulfanyl)-2H-pyran-2-one [ACD/IUPAC Name]
3-Bromo-6-(4-fluorophényl)-4-(méthylsulfanyl)-2H-pyran-2-one [French] [ACD/IUPAC Name]
203171-91-9 [RN]
3-Bromo-6-(4-fluoro-phenyl)-4-methylsulfanyl-pyran-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL322494/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 357.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 170.0±27.9 °C
Index of Refraction: 1.644
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.91
ACD/KOC (pH 5.5): 1631.10
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.91
ACD/KOC (pH 7.4): 1631.10
Polar Surface Area: 52 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 191.6±5.0 cm3

Click to predict properties on the Chemicalize site


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