ChemSpider 2D Image | 1,3-Benzothiazol-2-ylmethyl 4-fluoro-2-[(methylsulfonyl)amino]benzoate | C16H13FN2O4S2

1,3-Benzothiazol-2-ylmethyl 4-fluoro-2-[(methylsulfonyl)amino]benzoate

  • Molecular FormulaC16H13FN2O4S2
  • Average mass380.414 Da
  • Monoisotopic mass380.030060 Da
  • ChemSpider ID30065280

More details:

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

1,3-Benzothiazol-2-ylmethyl 4-fluoro-2-[(methylsulfonyl)amino]benzoate [ACD/IUPAC Name]
1,3-Benzothiazol-2-ylmethyl-4-fluor-2-[(methylsulfonyl)amino]benzoat [German] [ACD/IUPAC Name]
4-Fluoro-2-[(méthylsulfonyl)amino]benzoate de 1,3-benzothiazol-2-ylméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-2-[(methylsulfonyl)amino]-, 2-benzothiazolylmethyl ester [ACD/Index 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: 562.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.0±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 301.40
ACD/KOC (pH 5.5): 2012.58
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 38.05
ACD/KOC (pH 7.4): 254.05
Polar Surface Area: 122 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 249.5±3.0 cm3

Click to predict properties on the Chemicalize site


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