ChemSpider 2D Image | 3-(3-Fluorobenzyl)-1H-isochromen-1-one | C16H11FO2

3-(3-Fluorobenzyl)-1H-isochromen-1-one

  • Molecular FormulaC16H11FO2
  • Average mass254.256 Da
  • Monoisotopic mass254.074310 Da
  • ChemSpider ID24741078

More details:

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

1H-2-Benzopyran-1-one, 3-[(3-fluorophenyl)methyl]- [ACD/Index Name]
3-(3-Fluorbenzyl)-1H-isochromen-1-on [German] [ACD/IUPAC Name]
3-(3-Fluorobenzyl)-1H-isochromen-1-one [ACD/IUPAC Name]
3-(3-Fluorobenzyl)-1H-isochromén-1-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 391.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 184.3±22.8 °C
Index of Refraction: 1.615
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1165.78
ACD/KOC (pH 5.5): 5453.61
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1165.78
ACD/KOC (pH 7.4): 5453.61
Polar Surface Area: 26 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 197.6±3.0 cm3

Click to predict properties on the Chemicalize site


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