ChemSpider 2D Image | (4E)-3-(Chloromethyl)-4-(2-furylmethylene)-1,2-oxazol-5(4H)-one | C9H6ClNO3

(4E)-3-(Chloromethyl)-4-(2-furylmethylene)-1,2-oxazol-5(4H)-one

  • Molecular FormulaC9H6ClNO3
  • Average mass211.602 Da
  • Monoisotopic mass211.003616 Da
  • ChemSpider ID21801167

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-3-(Chlormethyl)-4-(2-furylmethylen)-1,2-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
(4E)-3-(Chloromethyl)-4-(2-furylmethylene)-1,2-oxazol-5(4H)-one [ACD/IUPAC Name]
(4E)-3-(Chlorométhyl)-4-(2-furylméthylène)-1,2-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Isoxazolone, 3-(chloromethyl)-4-(2-furanylmethylene)-, (4E)- [ACD/Index Name]
(4E)-3-(chloromethyl)-4-(2-furylmethylene)isoxazol-5(4H)-one
(4E)-3-(Chloromethyl)-4-(2-furylmethylene)-isoxazol-5(4H)-one
(4E)-3-(chloromethyl)-4-(furan-2-ylmethylidene)-1,2-oxazol-5(4H)-one
(4E)-3-(chloromethyl)-4-(furan-2-ylmethylidene)-1,2-oxazol-5-one
(4E)-3-(chloromethyl)-4-[(furan-2-yl)methylidene]-4,5-dihydro-1,2-oxazol-5-one
(E)-3-(chloromethyl)-4-(furan-2-ylmethylene)isoxazol-5(4H)-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 297.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.7±3.0 kJ/mol
Flash Point: 133.4±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 50.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.98
ACD/KOC (pH 5.5): 338.27
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.98
ACD/KOC (pH 7.4): 338.27
Polar Surface Area: 52 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 144.7±7.0 cm3

Click to predict properties on the Chemicalize site


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