ChemSpider 2D Image | 2-Methyl-4-[(~2~H_3_)methyloxy]-1-nitrobenzene | C8H6D3NO3

2-Methyl-4-[(2H3)methyloxy]-1-nitrobenzene

  • Molecular FormulaC8H6D3NO3
  • Average mass170.180 Da
  • Monoisotopic mass170.077072 Da
  • ChemSpider ID17250070

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Methyl-4-[(2H3)methyloxy]-1-nitrobenzene [ACD/IUPAC Name]
2-Méthyl-4-[(2H3)méthyloxy]-1-nitrobenzène [French] [ACD/IUPAC Name]
2-Methyl-4-[(2H3)methyloxy]-1-nitrobenzol [German] [ACD/IUPAC Name]
Benzene, 2-methyl-4-(methyl-d3-oxy)-1-nitro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 280.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 135.1±23.8 °C
Index of Refraction: 1.538
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.23
ACD/KOC (pH 5.5): 590.61
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.23
ACD/KOC (pH 7.4): 590.61
Polar Surface Area: 55 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

Click to predict properties on the Chemicalize site


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