ChemSpider 2D Image | (4Z)-2-[2-(Difluoromethoxy)phenyl]-4-[(7-methoxy-2H-chromen-3-yl)methylene]-1,3-oxazol-5(4H)-one | C21H15F2NO5

(4Z)-2-[2-(Difluoromethoxy)phenyl]-4-[(7-methoxy-2H-chromen-3-yl)methylene]-1,3-oxazol-5(4H)-one

  • Molecular FormulaC21H15F2NO5
  • Average mass399.344 Da
  • Monoisotopic mass399.091827 Da
  • ChemSpider ID22848594

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-2-[2-(Difluormethoxy)phenyl]-4-[(7-methoxy-2H-chromen-3-yl)methylen]-1,3-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
(4Z)-2-[2-(Difluoromethoxy)phenyl]-4-[(7-methoxy-2H-chromen-3-yl)methylene]-1,3-oxazol-5(4H)-one [ACD/IUPAC Name]
(4Z)-2-[2-(Difluorométhoxy)phényl]-4-[(7-méthoxy-2H-chromén-3-yl)méthylène]-1,3-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Oxazolone, 2-[2-(difluoromethoxy)phenyl]-4-[(7-methoxy-2H-1-benzopyran-3-yl)methylene]-, (4Z)- [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: 534.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.8±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): 3.43
ACD/BCF (pH 5.5): 238.63
ACD/KOC (pH 5.5): 1752.13
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 238.65
ACD/KOC (pH 7.4): 1752.27
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

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