ChemSpider 2D Image | 2,3,6-Trifluoro-5-hydroxybenzonitrile | C7H2F3NO

2,3,6-Trifluoro-5-hydroxybenzonitrile

  • Molecular FormulaC7H2F3NO
  • Average mass173.092 Da
  • Monoisotopic mass173.008850 Da
  • ChemSpider ID61779087

More details:

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

2,3,6-Trifluor-5-hydroxybenzonitril [German] [ACD/IUPAC Name]
2,3,6-Trifluoro-5-hydroxybenzonitrile [ACD/IUPAC Name]
2,3,6-Trifluoro-5-hydroxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2,3,6-trifluoro-5-hydroxy- [ACD/Index Name]
1895549-61-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 239.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 98.8±27.3 °C
Index of Refraction: 1.505
Molar Refractivity: 33.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 31.31
ACD/KOC (pH 5.5): 394.80
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 38.12
Polar Surface Area: 44 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 111.8±5.0 cm3

Click to predict properties on the Chemicalize site


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