ChemSpider 2D Image | 9-ING-41 | C22H13FN2O5

9-ING-41

  • Molecular FormulaC22H13FN2O5
  • Average mass404.347 Da
  • Monoisotopic mass404.080841 Da
  • ChemSpider ID24701488

More details:

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

1034895-42-5 [RN]
1H-Pyrrole-2,5-dione, 3-(5-fluoro-3-benzofuranyl)-4-(5-methyl-5H-1,3-dioxolo[4,5-f]indol-7-yl)- [ACD/Index Name]
3-(5-Fluor-1-benzofuran-3-yl)-4-(5-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-(5-Fluoro-1-benzofuran-3-yl)-4-(5-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(5-Fluoro-1-benzofuran-3-yl)-4-(5-méthyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-(5-fluoro-1-benzofuran-3-yl)-4-{5-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
3-(5-fluoro-1-benzofuran-3-yl)-4-{5-methyl-2H-[1,3]dioxolo[4,5-f]indol-7-yl}-1H-pyrrole-2,5-dione
9-ING-41
ND1SOF0DLU
111-59-1 [RN]
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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: 649.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.6±31.5 °C
Index of Refraction: 1.756
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.46
ACD/KOC (pH 5.5): 1100.24
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 52.45
ACD/KOC (pH 7.4): 459.97
Polar Surface Area: 83 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 247.0±7.0 cm3

Click to predict properties on the Chemicalize site


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