ChemSpider 2D Image | 8-Phenyl-6,6a-dihydro-4-oxa-2,7,12b-triazabenzo[b]cyclopenta[kl]heptalen-3(5H)-one | C20H15N3O2

8-Phenyl-6,6a-dihydro-4-oxa-2,7,12b-triazabenzo[b]cyclopenta[kl]heptalen-3(5H)-one

  • Molecular FormulaC20H15N3O2
  • Average mass329.352 Da
  • Monoisotopic mass329.116425 Da
  • ChemSpider ID28644695

More details:

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

4-Oxa-2,7,12b-triazabenzo[b]cyclopenta[kl]heptalen-3(5H)-one, 6,6a-dihydro-8-phenyl- [ACD/Index Name]
8-Phenyl-6,6a-dihydro-4-oxa-2,7,12b-triazabenzo[b]cyclopenta[kl]heptalen-3(5H)-on [German] [ACD/IUPAC Name]
8-Phenyl-6,6a-dihydro-4-oxa-2,7,12b-triazabenzo[b]cyclopenta[kl]heptalen-3(5H)-one [ACD/IUPAC Name]
8-Phényl-6,6a-dihydro-4-oxa-2,7,12b-triazabenzo[b]cyclopenta[kl]heptalén-3(5H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.2±30.1 °C
Index of Refraction: 1.731
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.47
ACD/KOC (pH 5.5): 525.92
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.60
ACD/KOC (pH 7.4): 527.44
Polar Surface Area: 56 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 235.9±7.0 cm3

Click to predict properties on the Chemicalize site


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