ChemSpider 2D Image | 3-(3-Chlorobenzyl)-1H-isochromen-1-one | C16H11ClO2

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

  • Molecular FormulaC16H11ClO2
  • Average mass270.710 Da
  • Monoisotopic mass270.044769 Da
  • ChemSpider ID24740814

More details:

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

1H-2-Benzopyran-1-one, 3-[(3-chlorophenyl)methyl]- [ACD/Index Name]
3-(3-Chlorbenzyl)-1H-isochromen-1-on [German] [ACD/IUPAC Name]
3-(3-Chlorobenzyl)-1H-isochromen-1-one [ACD/IUPAC Name]
3-(3-Chlorobenzyl)-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: 421.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 226.3±24.2 °C
Index of Refraction: 1.638
Molar Refractivity: 73.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3522.79
ACD/KOC (pH 5.5): 12035.28
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3522.79
ACD/KOC (pH 7.4): 12035.28
Polar Surface Area: 26 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 205.3±3.0 cm3

Click to predict properties on the Chemicalize site


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