ChemSpider 2D Image | 4-Nitro-6,12-diazatricyclo[7.2.1.0~2,7~]dodeca-2,4,6-triene | C10H11N3O2

4-Nitro-6,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

  • Molecular FormulaC10H11N3O2
  • Average mass205.213 Da
  • Monoisotopic mass205.085129 Da
  • ChemSpider ID97100674

More details:

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

4-Nitro-6,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien [German] [ACD/IUPAC Name]
4-Nitro-6,12-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene [ACD/IUPAC Name]
4-Nitro-6,12-diazatricyclo[7.2.1.02,7]dodéca-2,4,6-triène [French] [ACD/IUPAC Name]
5,8-Imino-5H-cyclohepta[b]pyridine, 6,7,8,9-tetrahydro-3-nitro- [ACD/Index Name]
4-nitro-6,12-diazatricyclo[7.2.1.0,2,7]dodeca-2(7),3,5-triene
MFCD32875262

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

Density: 1.3±0.1 g/cm3
Boiling Point: 343.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 161.7±27.9 °C
Index of Refraction: 1.615
Molar Refractivity: 53.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 67.52
Polar Surface Area: 71 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 153.9±3.0 cm3

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