ChemSpider 2D Image | 7-{[1-(3,5-Dinitrobenzoyl)-3-azetidinyl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one | C26H19N3O9

7-{[1-(3,5-Dinitrobenzoyl)-3-azetidinyl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one

  • Molecular FormulaC26H19N3O9
  • Average mass517.444 Da
  • Monoisotopic mass517.112122 Da
  • ChemSpider ID123115109

More details:

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

4H-1-Benzopyran-4-one, 7-[[1-(3,5-dinitrobenzoyl)-3-azetidinyl]oxy]-3-(4-methoxyphenyl)- [ACD/Index Name]
7-{[1-(3,5-Dinitrobenzoyl)-3-azetidinyl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-{[1-(3,5-Dinitrobenzoyl)-3-azetidinyl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
7-{[1-(3,5-Dinitrobenzoyl)-3-azétidinyl]oxy}-3-(4-méthoxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 742.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.1±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 131.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 236.16
ACD/KOC (pH 5.5): 1739.21
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 236.16
ACD/KOC (pH 7.4): 1739.21
Polar Surface Area: 157 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 346.1±3.0 cm3

Click to predict properties on the Chemicalize site


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