ChemSpider 2D Image | 6-Chloro-1-benzothiophene-3-carboxylic acid | C9H5ClO2S

6-Chloro-1-benzothiophene-3-carboxylic acid

  • Molecular FormulaC9H5ClO2S
  • Average mass212.653 Da
  • Monoisotopic mass211.969879 Da
  • ChemSpider ID30804695

More details:

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

6-Chlor-1-benzothiophen-3-carbonsäure [German] [ACD/IUPAC Name]
6-Chloro-1-benzothiophene-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-chloro-1-benzothiophène-3-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 6-chloro- [ACD/Index Name]
1027271-95-9 [RN]
6-chloroBenzo[b]thiophene-3-carboxylic acid
MFCD27980409

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: 4.65
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 12.37
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.15
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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