ChemSpider 2D Image | 7-fluoro-1-methyl-4-nitro-3H-2,1-benzothiazole 2,2-dioxide | C8H7FN2O4S

7-fluoro-1-methyl-4-nitro-3H-2,1-benzothiazole 2,2-dioxide

  • Molecular FormulaC8H7FN2O4S
  • Average mass246.216 Da
  • Monoisotopic mass246.011063 Da
  • ChemSpider ID78336272

More details:

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

2,2-Dioxyde de 7-fluoro-1-méthyl-4-nitro-1,3-dihydro-2,1-benzothiazole [French] [ACD/IUPAC Name]
7-Fluor-1-methyl-4-nitro-1,3-dihydro-2,1-benzothiazol-2,2-dioxid [German] [ACD/IUPAC 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: 404.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.2±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 52.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 69.12
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 69.12
Polar Surface Area: 92 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 152.2±3.0 cm3

Click to predict properties on the Chemicalize site


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