ChemSpider 2D Image | Methyl 4-[3-(trifluoromethyl)phenyl]-4H-1,4-benzothiazine-2-carboxylate 1,1-dioxide | C17H12F3NO4S

Methyl 4-[3-(trifluoromethyl)phenyl]-4H-1,4-benzothiazine-2-carboxylate 1,1-dioxide

  • Molecular FormulaC17H12F3NO4S
  • Average mass383.342 Da
  • Monoisotopic mass383.043915 Da
  • ChemSpider ID29056067

More details:






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

1,1-Dioxyde de 4-[3-(trifluorométhyl)phényl]-4H-1,4-benzothiazine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H-1,4-Benzothiazine-2-carboxylic acid, 4-[3-(trifluoromethyl)phenyl]-, methyl ester, 1,1-dioxide [ACD/Index Name]
Methyl 4-[3-(trifluoromethyl)phenyl]-4H-1,4-benzothiazine-2-carboxylate 1,1-dioxide [ACD/IUPAC Name]
Methyl-4-[3-(trifluormethyl)phenyl]-4H-1,4-benzothiazin-2-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
methyl 4-(3-(trifluoromethyl)phenyl)-4H-benzo[b][1,4]thiazine-2-carboxylate 1,1-dioxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 494.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.7±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.15
ACD/KOC (pH 5.5): 1129.13
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.15
ACD/KOC (pH 7.4): 1129.13
Polar Surface Area: 72 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 260.5±3.0 cm3

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