ChemSpider 2D Image | 3-Fluoro-4-[hydroxy(~2~H_2_)methyl]benzonitrile | C8H4D2FNO

3-Fluoro-4-[hydroxy(2H2)methyl]benzonitrile

  • Molecular FormulaC8H4D2FNO
  • Average mass153.150 Da
  • Monoisotopic mass153.055893 Da
  • ChemSpider ID127392611

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Fluor-4-[hydroxy(2H2)methyl]benzonitril [German] [ACD/IUPAC Name]
3-Fluoro-4-[hydroxy(2H2)methyl]benzonitrile [ACD/IUPAC Name]
3-Fluoro-4-[hydroxy(2H2)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-fluoro-4-(hydroxymethyl-d2)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 288.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.8±3.0 kJ/mol
Flash Point: 128.5±24.6 °C
Index of Refraction: 1.546
Molar Refractivity: 37.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 77.59
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 77.59
Polar Surface Area: 44 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 118.7±5.0 cm3

Click to predict properties on the Chemicalize site


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