ChemSpider 2D Image | (4Z)-2-(2,4-Difluorophenyl)-4-[4-(methylsulfanyl)benzylidene]-1,3-oxazol-5(4H)-one | C17H11F2NO2S

(4Z)-2-(2,4-Difluorophenyl)-4-[4-(methylsulfanyl)benzylidene]-1,3-oxazol-5(4H)-one

  • Molecular FormulaC17H11F2NO2S
  • Average mass331.336 Da
  • Monoisotopic mass331.047852 Da
  • ChemSpider ID22844987

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-2-(2,4-Difluorophenyl)-4-[4-(methylsulfanyl)benzylidene]-1,3-oxazol-5(4H)-one [ACD/IUPAC Name]
(4Z)-2-(2,4-Difluorophényl)-4-[4-(méthylsulfanyl)benzylidène]-1,3-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
(4Z)-2-(2,4-Difluorphenyl)-4-[4-(methylsulfanyl)benzyliden]-1,3-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
5(4H)-Oxazolone, 2-(2,4-difluorophenyl)-4-[[4-(methylthio)phenyl]methylene]-, (4Z)- [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: 443.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.2±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 85.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 657.48
ACD/KOC (pH 5.5): 3619.43
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 657.48
ACD/KOC (pH 7.4): 3619.44
Polar Surface Area: 64 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 248.6±7.0 cm3

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