ChemSpider 2D Image | 5-Fluoro-2-nitrophenyl 3-(1-piperidinylsulfonyl)-2-thiophenecarboxylate | C16H15FN2O6S2

5-Fluoro-2-nitrophenyl 3-(1-piperidinylsulfonyl)-2-thiophenecarboxylate

  • Molecular FormulaC16H15FN2O6S2
  • Average mass414.428 Da
  • Monoisotopic mass414.035553 Da
  • ChemSpider ID33050890

More details:

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

2-Thiophenecarboxylic acid, 3-(1-piperidinylsulfonyl)-, 5-fluoro-2-nitrophenyl ester [ACD/Index Name]
3-(1-Pipéridinylsulfonyl)-2-thiophènecarboxylate de 5-fluoro-2-nitrophényle [French] [ACD/IUPAC Name]
5-Fluor-2-nitrophenyl-3-(1-piperidinylsulfonyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
5-Fluoro-2-nitrophenyl 3-(1-piperidinylsulfonyl)-2-thiophenecarboxylate [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 632.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.3±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 96.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 209.00
ACD/KOC (pH 5.5): 1593.58
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 209.00
ACD/KOC (pH 7.4): 1593.58
Polar Surface Area: 146 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 273.7±3.0 cm3

Click to predict properties on the Chemicalize site


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