ChemSpider 2D Image | 1-Allyl-2-nitrobenzene | C9H9NO2

1-Allyl-2-nitrobenzene

  • Molecular FormulaC9H9NO2
  • Average mass163.173 Da
  • Monoisotopic mass163.063324 Da
  • ChemSpider ID14421897

More details:

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

103441-67-4 [RN]
1-Allyl-2-nitrobenzene [ACD/IUPAC Name]
1-Allyl-2-nitro-benzene
1-Allyl-2-nitrobenzène [French] [ACD/IUPAC Name]
1-Allyl-2-nitrobenzol [German] [ACD/IUPAC Name]
1-Nitro-2-(2-propen-1-yl)benzene
Benzene, 1-nitro-2-(2-propen-1-yl)- [ACD/Index Name]
1-NITRO-2-(PROP-2-EN-1-YL)BENZENE
Benzene,1-nitro-2-(2-propen-1-yl)-
MFCD09030990 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 238.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 96.8±11.5 °C
Index of Refraction: 1.554
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.35
ACD/KOC (pH 5.5): 1008.82
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.35
ACD/KOC (pH 7.4): 1008.82
Polar Surface Area: 46 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 145.7±3.0 cm3

Click to predict properties on the Chemicalize site


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