ChemSpider 2D Image | 3-(4-Methoxyphenyl)-6-(trifluoromethyl)-2H-1,4-benzothiazine | C16H12F3NOS

3-(4-Methoxyphenyl)-6-(trifluoromethyl)-2H-1,4-benzothiazine

  • Molecular FormulaC16H12F3NOS
  • Average mass323.333 Da
  • Monoisotopic mass323.059174 Da
  • ChemSpider ID23342049

More details:

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

2H-1,4-Benzothiazine, 3-(4-methoxyphenyl)-6-(trifluoromethyl)- [ACD/Index Name]
3-(4-Methoxyphenyl)-6-(trifluormethyl)-2H-1,4-benzothiazin [German] [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-6-(trifluoromethyl)-2H-1,4-benzothiazine [ACD/IUPAC Name]
3-(4-Méthoxyphényl)-6-(trifluorométhyl)-2H-1,4-benzothiazine [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: 401.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 196.7±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 80.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2456.84
ACD/KOC (pH 5.5): 9293.38
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2461.84
ACD/KOC (pH 7.4): 9312.28
Polar Surface Area: 47 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 243.6±7.0 cm3

Click to predict properties on the Chemicalize site


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