ChemSpider 2D Image | 6-Chloro-3-{[(3-fluorophenyl)amino]methyl}-4H-chromen-4-one | C16H11ClFNO2

6-Chloro-3-{[(3-fluorophenyl)amino]methyl}-4H-chromen-4-one

  • Molecular FormulaC16H11ClFNO2
  • Average mass303.715 Da
  • Monoisotopic mass303.046234 Da
  • ChemSpider ID22492786

More details:

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

4H-1-Benzopyran-4-one, 6-chloro-3-[[(3-fluorophenyl)amino]methyl]- [ACD/Index Name]
6-Chlor-3-{[(3-fluorphenyl)amino]methyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
6-Chloro-3-{[(3-fluorophenyl)amino]methyl}-4H-chromen-4-one [ACD/IUPAC Name]
6-Chloro-3-{[(3-fluorophényl)amino]méthyl}-4H-chromén-4-one [French] [ACD/IUPAC Name]
6-CHLORO-3-[(3-FLUOROANILINO)METHYL]CHROMEN-4-ONE
6-CHLORO-3-{[(3-FLUOROPHENYL)AMINO]METHYL}CHROMEN-4-ONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 472.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.8±28.7 °C
Index of Refraction: 1.647
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1380.87
ACD/KOC (pH 5.5): 6154.77
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1382.08
ACD/KOC (pH 7.4): 6160.13
Polar Surface Area: 38 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 216.2±3.0 cm3

Click to predict properties on the Chemicalize site


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