ChemSpider 2D Image | Nitro(2,6-~2~H_2_)benzene | C6H3D2NO2

Nitro(2,6-2H2)benzene

  • Molecular FormulaC6H3D2NO2
  • Average mass125.122 Da
  • Monoisotopic mass125.044579 Da
  • ChemSpider ID21430297
  • Non-standard isotope - Non-standard isotope


More details:






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

Benzene-1,3-d2, 2-nitro- [ACD/Index Name]
Nitro(2,6-2H2)benzene [ACD/IUPAC Name]
Nitro(2,6-2H2)benzol [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.0 g/cm3
Boiling Point: 210.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 42.9±0.0 kJ/mol
Flash Point: 81.4±0.0 °C
Index of Refraction: 1.561
Molar Refractivity: 32.8±0.0 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.81
ACD/KOC (pH 5.5): 273.45
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.81
ACD/KOC (pH 7.4): 273.45
Polar Surface Area: 46 Å2
Polarizability: 13.0±0.0 10-24cm3
Surface Tension: 45.3±0.0 dyne/cm
Molar Volume: 101.3±0.0 cm3

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