ChemSpider 2D Image | 7-Chloro-1-benzothiophene-3-carboxylic acid 1,1-dioxide | C9H5ClO4S

7-Chloro-1-benzothiophene-3-carboxylic acid 1,1-dioxide

  • Molecular FormulaC9H5ClO4S
  • Average mass244.652 Da
  • Monoisotopic mass243.959702 Da
  • ChemSpider ID61896611

More details:

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

7-Chlor-1-benzothiophen-3-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
7-Chloro-1-benzothiophene-3-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
Acide 1,1-dioxyde de 7-chloro-1-benzothiophène-3-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 7-chloro-, 1,1-dioxide [ACD/Index Name]
1893160-93-4 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 463.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 234.1±28.7 °C
Index of Refraction: 1.687
Molar Refractivity: 53.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 76.2±3.0 dyne/cm
Molar Volume: 140.6±3.0 cm3

Click to predict properties on the Chemicalize site


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