ChemSpider 2D Image | (4E)-4-(2H-Chromen-3-ylmethylene)-2-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-oxazol-5(4H)-one | C21H15F2NO5

(4E)-4-(2H-Chromen-3-ylmethylene)-2-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-oxazol-5(4H)-one

  • Molecular FormulaC21H15F2NO5
  • Average mass399.344 Da
  • Monoisotopic mass399.091827 Da
  • ChemSpider ID65071982

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(2H-Chromen-3-ylmethylen)-2-[4-(difluormethoxy)-3-methoxyphenyl]-1,3-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
(4E)-4-(2H-Chromen-3-ylmethylene)-2-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-oxazol-5(4H)-one [ACD/IUPAC Name]
(4E)-4-(2H-Chromén-3-ylméthylène)-2-[4-(difluorométhoxy)-3-méthoxyphényl]-1,3-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Oxazolone, 4-(2H-1-benzopyran-3-ylmethylene)-2-[4-(difluoromethoxy)-3-methoxyphenyl]-, (4E)- [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: 521.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.2±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.31
ACD/KOC (pH 5.5): 1578.83
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.33
ACD/KOC (pH 7.4): 1578.98
Polar Surface Area: 66 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 289.3±7.0 cm3

Click to predict properties on the Chemicalize site


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