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Search term: MF = 'C_{13}H_{9}FN_{2}O'

ChemSpider 2D Image | 4-(2-Aminophenoxy)-2-fluorobenzonitrile | C13H9FN2O

4-(2-Aminophenoxy)-2-fluorobenzonitrile

  • Molecular FormulaC13H9FN2O
  • Average mass228.222 Da
  • Monoisotopic mass228.069885 Da
  • ChemSpider ID24599289

More details:






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

1188264-32-5 [RN]
4-(2-Aminophenoxy)-2-fluorbenzonitril [German] [ACD/IUPAC Name]
4-(2-Aminophenoxy)-2-fluorobenzonitrile [ACD/IUPAC Name]
4-(2-Aminophénoxy)-2-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(2-aminophenoxy)-2-fluoro- [ACD/Index Name]
MFCD13152337

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

Density: 1.3±0.1 g/cm3
Boiling Point: 356.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 169.2±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: 2.23
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.70
ACD/KOC (pH 5.5): 421.67
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.89
ACD/KOC (pH 7.4): 424.14
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

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