ChemSpider 2D Image | 2-Chloro-1-benzothiophene-6-carboxylic acid | C9H5ClO2S

2-Chloro-1-benzothiophene-6-carboxylic acid

  • Molecular FormulaC9H5ClO2S
  • Average mass212.653 Da
  • Monoisotopic mass211.969879 Da
  • ChemSpider ID44837762

More details:

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

2-Chlor-1-benzothiophen-6-carbonsäure [German] [ACD/IUPAC Name]
2-Chloro-1-benzothiophene-6-carboxylic acid [ACD/IUPAC Name]
Acide 2-chloro-1-benzothiophène-6-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-6-carboxylic acid, 2-chloro- [ACD/Index Name]
1446443-50-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 408.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 200.9±23.2 °C
Index of Refraction: 1.720
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 15.67
ACD/KOC (pH 5.5): 91.90
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.35
Polar Surface Area: 66 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 137.5±3.0 cm3

Click to predict properties on the Chemicalize site


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