ChemSpider 2D Image | 3-Bromo-5-(~2~H_3_)methylbenzonitrile | C8H3D3BrN

3-Bromo-5-(2H3)methylbenzonitrile

  • Molecular FormulaC8H3D3BrN
  • Average mass199.062 Da
  • Monoisotopic mass197.987183 Da
  • ChemSpider ID111329979

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Brom-5-(2H3)methylbenzonitril [German] [ACD/IUPAC Name]
3-Bromo-5-(2H3)methylbenzonitrile [ACD/IUPAC Name]
3-Bromo-5-(2H3)méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-bromo-5-(methyl-d3)- [ACD/Index 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: 256.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 108.7±21.8 °C
Index of Refraction: 1.591
Molar Refractivity: 43.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.39
ACD/KOC (pH 5.5): 832.63
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.39
ACD/KOC (pH 7.4): 832.63
Polar Surface Area: 24 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 129.2±5.0 cm3

Click to predict properties on the Chemicalize site


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