ChemSpider 2D Image | (3Z)-6,8-Difluoro-3-[3-methoxy-4-(methylsulfanyl)benzylidene]-2,3-dihydro-4H-chromen-4-one | C18H14F2O3S

(3Z)-6,8-Difluoro-3-[3-methoxy-4-(methylsulfanyl)benzylidene]-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H14F2O3S
  • Average mass348.364 Da
  • Monoisotopic mass348.063171 Da
  • ChemSpider ID48211584

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-6,8-Difluor-3-[3-methoxy-4-(methylsulfanyl)benzyliden]-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3Z)-6,8-Difluoro-3-[3-methoxy-4-(methylsulfanyl)benzylidene]-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3Z)-6,8-Difluoro-3-[3-méthoxy-4-(méthylsulfanyl)benzylidène]-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 6,8-difluoro-2,3-dihydro-3-[[3-methoxy-4-(methylthio)phenyl]methylene]-, (3Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 512.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.0±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1588.38
ACD/KOC (pH 5.5): 6805.19
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1588.38
ACD/KOC (pH 7.4): 6805.19
Polar Surface Area: 61 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 253.9±5.0 cm3

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