ChemSpider 2D Image | 2-(4-Chlorophenyl)-5-fluoro-1,2-benzothiazol-3(2H)-one | C13H7ClFNOS

2-(4-Chlorophenyl)-5-fluoro-1,2-benzothiazol-3(2H)-one

  • Molecular FormulaC13H7ClFNOS
  • Average mass279.717 Da
  • Monoisotopic mass278.992096 Da
  • ChemSpider ID26391876

More details:

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

1,2-Benzisothiazol-3(2H)-one, 2-(4-chlorophenyl)-5-fluoro- [ACD/Index Name]
2-(4-Chlorophenyl)-5-fluoro-1,2-benzothiazol-3(2H)-one [ACD/IUPAC Name]
2-(4-Chlorophényl)-5-fluoro-1,2-benzothiazol-3(2H)-one [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-5-fluor-1,2-benzothiazol-3(2H)-on [German] [ACD/IUPAC Name]
2-(4-chlorophenyl)-5-fluoro-1,2-benzothiazol-3-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 444.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.6±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 445.05
ACD/KOC (pH 5.5): 2737.36
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 445.05
ACD/KOC (pH 7.4): 2737.36
Polar Surface Area: 46 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 185.9±3.0 cm3

Click to predict properties on the Chemicalize site


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