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Search term: MF = 'C_{13}H_{9}FN_{2}O'
ChemSpider 2D Image | 2-(4-Aminophenoxy)-6-fluorobenzonitrile | C13H9FN2O

2-(4-Aminophenoxy)-6-fluorobenzonitrile

  • Molecular FormulaC13H9FN2O
  • Average mass228.222 Da
  • Monoisotopic mass228.069885 Da
  • ChemSpider ID25994328

More details:

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

2-(4-Aminophenoxy)-6-fluorbenzonitril [German] [ACD/IUPAC Name]
2-(4-Aminophenoxy)-6-fluorobenzonitrile [ACD/IUPAC Name]
2-(4-Aminophénoxy)-6-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(4-aminophenoxy)-6-fluoro- [ACD/Index Name]
1157011-71-6 [RN]
MFCD12088074 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 374.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.3±27.9 °C
Index of Refraction: 1.623
Molar Refractivity: 61.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.10
ACD/KOC (pH 5.5): 404.67
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.60
ACD/KOC (pH 7.4): 448.71
Polar Surface Area: 59 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 174.5±5.0 cm3

Click to predict properties on the Chemicalize site


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