ChemSpider 2D Image | 6,8-Dinitro-5-isoquinolinol | C9H5N3O5

6,8-Dinitro-5-isoquinolinol

  • Molecular FormulaC9H5N3O5
  • Average mass235.153 Da
  • Monoisotopic mass235.022919 Da
  • ChemSpider ID28707667

More details:

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

5-Isoquinolinol, 6,8-dinitro- [ACD/Index Name]
6,8-Dinitro-5-isochinolinol [German] [ACD/IUPAC Name]
6,8-Dinitro-5-isoquinoléinol [French] [ACD/IUPAC Name]
6,8-Dinitro-5-isoquinolinol [ACD/IUPAC Name]
6,8-Dinitroisoquinolin-5-ol
90909-09-4 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 442.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 221.2±28.7 °C
Index of Refraction: 1.760
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 92.9±3.0 dyne/cm
Molar Volume: 138.9±3.0 cm3

Click to predict properties on the Chemicalize site


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