ChemSpider 2D Image | 3-[6-(2-Chlorobenzoyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]propanenitrile | C17H11ClN2O2S

3-[6-(2-Chlorobenzoyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]propanenitrile

  • Molecular FormulaC17H11ClN2O2S
  • Average mass342.799 Da
  • Monoisotopic mass342.022980 Da
  • ChemSpider ID24736802

More details:

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

3(2H)-Benzothiazolepropanenitrile, 6-(2-chlorobenzoyl)-2-oxo- [ACD/Index Name]
3-[6-(2-Chlorbenzoyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]propannitril [German] [ACD/IUPAC Name]
3-[6-(2-Chlorobenzoyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]propanenitrile [ACD/IUPAC Name]
3-[6-(2-Chlorobenzoyl)-2-oxo-1,3-benzothiazol-3(2H)-yl]propanenitrile [French] [ACD/IUPAC Name]
3-(6-(2-Chlorobenzoyl)-2-oxobenzo[d]thiazol-3(2H)-yl)propanenitrile
648410-58-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.8±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.87
ACD/KOC (pH 5.5): 1051.15
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.87
ACD/KOC (pH 7.4): 1051.15
Polar Surface Area: 86 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 243.1±3.0 cm3

Click to predict properties on the Chemicalize site


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