ChemSpider 2D Image | [4-(4-Chloro-2-nitrophenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl]methylene diacetate | C19H15ClN2O9

[4-(4-Chloro-2-nitrophenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-en-1-yl]methylene diacetate

  • Molecular FormulaC19H15ClN2O9
  • Average mass450.783 Da
  • Monoisotopic mass450.046600 Da
  • ChemSpider ID22201734

More details:

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

[4-(4-Chlor-2-nitrophenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-en-1-yl]methylen-diacetat [German] [ACD/IUPAC Name]
[4-(4-Chloro-2-nitrophenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]dec-8-en-1-yl]methylene diacetate [ACD/IUPAC Name]
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 4-[bis(acetyloxy)methyl]-2-(4-chloro-2-nitrophenyl)-3a,4,7,7a-tetrahydro- [ACD/Index Name]
Diacétate de [4-(4-chloro-2-nitrophényl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]déc-8-én-1-yl]méthylène [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 678.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.2±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.93
ACD/KOC (pH 5.5): 240.95
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.93
ACD/KOC (pH 7.4): 240.95
Polar Surface Area: 145 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 282.7±3.0 cm3

Click to predict properties on the Chemicalize site


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