ChemSpider 2D Image | 2-Oxotetrahydro-3-furanyl 3,6-dichloro-1-benzothiophene-2-carboxylate | C13H8Cl2O4S

2-Oxotetrahydro-3-furanyl 3,6-dichloro-1-benzothiophene-2-carboxylate

  • Molecular FormulaC13H8Cl2O4S
  • Average mass331.171 Da
  • Monoisotopic mass329.952026 Da
  • ChemSpider ID21947164

More details:

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

2-Oxotetrahydro-3-furanyl 3,6-dichloro-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
2-Oxotetrahydro-3-furanyl-3,6-dichlor-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
3,6-Dichloro-1-benzothiophène-2-carboxylate de 2-oxotétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, tetrahydro-2-oxo-3-furanyl ester [ACD/Index 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: 535.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.5±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 76.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 316.64
ACD/KOC (pH 5.5): 2145.41
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 316.64
ACD/KOC (pH 7.4): 2145.41
Polar Surface Area: 81 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 206.5±5.0 cm3

Click to predict properties on the Chemicalize site


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