ChemSpider 2D Image | Pentafluorobenzyl 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a(1H)-carboxylate | C18H10F5NO3S

Pentafluorobenzyl 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a(1H)-carboxylate

  • Molecular FormulaC18H10F5NO3S
  • Average mass415.334 Da
  • Monoisotopic mass415.030151 Da
  • ChemSpider ID21980996

More details:

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

1-Oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a(1H)-carboxylate de pentafluorobenzyle [French] [ACD/IUPAC Name]
Pentafluorbenzyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-3a(1H)-carboxylat [German] [ACD/IUPAC Name]
Pentafluorobenzyl 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a(1H)-carboxylate [ACD/IUPAC Name]
Pyrrolo[2,1-b]benzothiazole-3a(1H)-carboxylic acid, 2,3-dihydro-1-oxo-, (2,3,4,5,6-pentafluorophenyl)methyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 483.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 246.0±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.77
ACD/KOC (pH 5.5): 1907.91
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.77
ACD/KOC (pH 7.4): 1907.91
Polar Surface Area: 72 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 253.9±5.0 cm3

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