ChemSpider 2D Image | 3-(10-Chloro-9-anthryl)-5-{[3-(2-propyn-1-yloxy)phenoxy]methyl}-1,2-oxazole | C27H18ClNO3

3-(10-Chloro-9-anthryl)-5-{[3-(2-propyn-1-yloxy)phenoxy]methyl}-1,2-oxazole

  • Molecular FormulaC27H18ClNO3
  • Average mass439.890 Da
  • Monoisotopic mass439.097534 Da
  • ChemSpider ID24742448

More details:

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

3-(10-Chlor-9-anthryl)-5-{[3-(2-propin-1-yloxy)phenoxy]methyl}-1,2-oxazol [German] [ACD/IUPAC Name]
3-(10-Chloro-9-anthryl)-5-{[3-(2-propyn-1-yloxy)phenoxy]methyl}-1,2-oxazole [ACD/IUPAC Name]
3-(10-Chloro-9-anthryl)-5-{[3-(2-propyn-1-yloxy)phénoxy]méthyl}-1,2-oxazole [French] [ACD/IUPAC Name]
Isoxazole, 3-(10-chloro-9-anthracenyl)-5-[[3-(2-propyn-1-yloxy)phenoxy]methyl]- [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: 625.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 331.8±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 126.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41693.29
ACD/KOC (pH 5.5): 70571.05
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41693.29
ACD/KOC (pH 7.4): 70571.05
Polar Surface Area: 44 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 336.4±3.0 cm3

Click to predict properties on the Chemicalize site


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