ChemSpider 2D Image | 4-Bromo-1-benzothiophene-2,5-diol | C8H5BrO2S

4-Bromo-1-benzothiophene-2,5-diol

  • Molecular FormulaC8H5BrO2S
  • Average mass245.093 Da
  • Monoisotopic mass243.919357 Da
  • ChemSpider ID61084374

More details:

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

4-Brom-1-benzothiophen-2,5-diol [German] [ACD/IUPAC Name]
4-Bromo-1-benzothiophene-2,5-diol [ACD/IUPAC Name]
4-Bromo-1-benzothiophène-2,5-diol [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2,5-diol, 4-bromo- [ACD/Index Name]
1935162-18-7 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 392.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 191.3±26.5 °C
Index of Refraction: 1.801
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 174.14
ACD/KOC (pH 5.5): 1381.43
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 36.04
ACD/KOC (pH 7.4): 285.87
Polar Surface Area: 69 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 78.1±3.0 dyne/cm
Molar Volume: 126.1±3.0 cm3

Click to predict properties on the Chemicalize site


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