ChemSpider 2D Image | (2R)-6,7-Dichloro-5-(2-thienylcarbonyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid | C14H8Cl2O4S

(2R)-6,7-Dichloro-5-(2-thienylcarbonyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

  • Molecular FormulaC14H8Cl2O4S
  • Average mass343.182 Da
  • Monoisotopic mass341.952026 Da
  • ChemSpider ID28485382

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-6,7-Dichlor-5-(2-thienylcarbonyl)-2,3-dihydro-1-benzofuran-2-carbonsäure [German] [ACD/IUPAC Name]
(2R)-6,7-Dichloro-5-(2-thienylcarbonyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid [ACD/IUPAC Name]
2-Benzofurancarboxylic acid, 6,7-dichloro-2,3-dihydro-5-(2-thienylcarbonyl)-, (2R)- [ACD/Index Name]
Acide (2R)-6,7-dichloro-5-(2-thiénylcarbonyl)-2,3-dihydro-1-benzofurane-2-carboxylique [French] [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: 588.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 310.0±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 213.3±3.0 cm3

Click to predict properties on the Chemicalize site


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