ChemSpider 2D Image | 2-Hydroxy-3-(4-nitrobenzyl)-1,4-naphthoquinone | C17H11NO5

2-Hydroxy-3-(4-nitrobenzyl)-1,4-naphthoquinone

  • Molecular FormulaC17H11NO5
  • Average mass309.273 Da
  • Monoisotopic mass309.063721 Da
  • ChemSpider ID24835915

More details:

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

1,4-Naphthalenedione, 2-hydroxy-3-[(4-nitrophenyl)methyl]- [ACD/Index Name]
2-Hydroxy-3-(4-nitrobenzyl)-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-Hydroxy-3-(4-nitrobenzyl)-1,4-naphthoquinone [ACD/IUPAC Name]
2-Hydroxy-3-(4-nitrobenzyl)-1,4-naphtoquinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 540.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 224.9±18.6 °C
Index of Refraction: 1.708
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 7.47
ACD/KOC (pH 5.5): 69.37
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 100 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 77.9±3.0 dyne/cm
Molar Volume: 205.7±3.0 cm3

Click to predict properties on the Chemicalize site


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