UNII:2N1280157D C21H22FN3O3 structure

Flashcard maker : Lewis Edwards

Molecular Formula C21H22FN3O3
Average mass 383.416 Da
Density 1.3±0.1 g/cm3
Boiling Point 594.4±45.0 °C at 760 mmHg
Flash Point 313.3±28.7 °C
Molar Refractivity 104.2±0.5 cm3
Polarizability 41.3±0.5 10-24cm3
Surface Tension 42.5±7.0 dyne/cm
Molar Volume 306.5±7.0 cm3
  • Predicted – ACD/Labs
  • Predicted – ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 594.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 104.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.16
ACD/KOC (pH 5.5): 1449.93
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.04
ACD/KOC (pH 7.4): 1448.97
Polar Surface Area: 73 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 306.5±7.0 cm3

Click to predict properties on the Chemicalize site

Get instant access to
all materials

Become a Member