ChemSpider 2D Image | 3-Bromo-5-[(~2~H_3_)methyloxy](~2~H_3_)benzonitrile | C8D6BrNO

3-Bromo-5-[(2H3)methyloxy](2H3)benzonitrile

  • Molecular FormulaC8D6BrNO
  • Average mass218.080 Da
  • Monoisotopic mass217.000931 Da
  • ChemSpider ID111329882

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Brom-5-[(2H3)methyloxy](2H3)benzonitril [German] [ACD/IUPAC Name]
3-Bromo-5-[(2H3)methyloxy](2H3)benzonitrile [ACD/IUPAC Name]
3-Bromo-5-[(2H3)méthyloxy](2H3)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,4,6-d3, 3-bromo-5-(methyl-d3-oxy)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 253.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 107.1±23.2 °C
Index of Refraction: 1.584
Molar Refractivity: 45.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.32
ACD/KOC (pH 5.5): 730.73
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.32
ACD/KOC (pH 7.4): 730.73
Polar Surface Area: 33 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 135.6±5.0 cm3

Click to predict properties on the Chemicalize site


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