ChemSpider 2D Image | 2-Chloro-6-fluorobenzyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate | C16H11ClFNO3S

2-Chloro-6-fluorobenzyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate

  • Molecular FormulaC16H11ClFNO3S
  • Average mass351.780 Da
  • Monoisotopic mass351.013214 Da
  • ChemSpider ID30547753

More details:

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

2-Chlor-6-fluorbenzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-carboxylat [German] [ACD/IUPAC Name]
2-Chloro-6-fluorobenzyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate [ACD/IUPAC Name]
2H-1,4-Benzothiazine-6-carboxylic acid, 3,4-dihydro-3-oxo-, (2-chloro-6-fluorophenyl)methyl ester [ACD/Index Name]
3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate de 2-chloro-6-fluorobenzyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 546.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.1±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 610.34
ACD/KOC (pH 5.5): 3431.76
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 610.34
ACD/KOC (pH 7.4): 3431.73
Polar Surface Area: 81 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 243.0±3.0 cm3

Click to predict properties on the Chemicalize site


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