ChemSpider 2D Image | Isopropyl 3-oxo-1,2-benzothiazole-2(3H)-carboxylate | C11H11NO3S

Isopropyl 3-oxo-1,2-benzothiazole-2(3H)-carboxylate

  • Molecular FormulaC11H11NO3S
  • Average mass237.275 Da
  • Monoisotopic mass237.045959 Da
  • ChemSpider ID30656961

More details:

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

1,2-Benzisothiazole-2(3H)-carboxylic acid, 3-oxo-, 1-methylethyl ester [ACD/Index Name]
3-Oxo-1,2-benzothiazole-2(3H)-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 3-oxo-1,2-benzothiazole-2(3H)-carboxylate [ACD/IUPAC Name]
Isopropyl-3-oxo-1,2-benzothiazol-2(3H)-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 358.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 170.4±23.2 °C
Index of Refraction: 1.610
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.67
ACD/KOC (pH 5.5): 476.27
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.67
ACD/KOC (pH 7.4): 476.27
Polar Surface Area: 72 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 176.6±3.0 cm3

Click to predict properties on the Chemicalize site


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