ChemSpider 2D Image | 7-Chloro-1-benzothiophene-4,5-diol | C8H5ClO2S

7-Chloro-1-benzothiophene-4,5-diol

  • Molecular FormulaC8H5ClO2S
  • Average mass200.642 Da
  • Monoisotopic mass199.969879 Da
  • ChemSpider ID61093572

More details:

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

7-Chlor-1-benzothiophen-4,5-diol [German] [ACD/IUPAC Name]
7-Chloro-1-benzothiophene-4,5-diol [ACD/IUPAC Name]
7-Chloro-1-benzothiophène-4,5-diol [French] [ACD/IUPAC Name]
Benzo[b]thiophene-4,5-diol, 7-chloro- [ACD/Index Name]
1934880-38-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 391.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 190.4±26.5 °C
Index of Refraction: 1.780
Molar Refractivity: 51.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.48
ACD/KOC (pH 5.5): 1415.65
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 72.16
ACD/KOC (pH 7.4): 572.37
Polar Surface Area: 69 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 76.4±3.0 dyne/cm
Molar Volume: 121.8±3.0 cm3

Click to predict properties on the Chemicalize site


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