ChemSpider 2D Image | 5-Chloro-1-benzothiophene-3,7-diol | C8H5ClO2S

5-Chloro-1-benzothiophene-3,7-diol

  • Molecular FormulaC8H5ClO2S
  • Average mass200.642 Da
  • Monoisotopic mass199.969879 Da
  • ChemSpider ID61109356

More details:

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

5-Chlor-1-benzothiophen-3,7-diol [German] [ACD/IUPAC Name]
5-Chloro-1-benzothiophene-3,7-diol [ACD/IUPAC Name]
5-Chloro-1-benzothiophène-3,7-diol [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3,7-diol, 5-chloro- [ACD/Index Name]
1934951-83-3 [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: 413.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 203.7±27.3 °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: 3.81
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.50
ACD/KOC (pH 5.5): 1277.25
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 139.92
ACD/KOC (pH 7.4): 1164.25
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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