ChemSpider 2D Image | Methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate | C10H6F4N4O4S

Methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC10H6F4N4O4S
  • Average mass354.238 Da
  • Monoisotopic mass354.004578 Da
  • ChemSpider ID26326505

More details:

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

1-(2,3,5,6-Tétrafluoro-4-sulfamoylphényl)-1H-1,2,3-triazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[4-(aminosulfonyl)-2,3,5,6-tetrafluorophenyl]-, methyl ester [ACD/Index Name]
Methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-(2,3,5,6-tetrafluor-4-sulfamoylphenyl)-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
D02

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

Density: 1.9±0.1 g/cm3
Boiling Point: 507.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.0±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 66.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 71.46
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 64.66
Polar Surface Area: 126 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 188.4±7.0 cm3

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