ChemSpider 2D Image | 3-(5-Bromo-1H-indol-3-yl)-2-thioxopropanoic acid | C11H8BrNO2S

3-(5-Bromo-1H-indol-3-yl)-2-thioxopropanoic acid

  • Molecular FormulaC11H8BrNO2S
  • Average mass298.156 Da
  • Monoisotopic mass296.945892 Da
  • ChemSpider ID35034937

More details:

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

1H-Indole-3-propanoic acid, 5-bromo-α-thioxo- [ACD/Index Name]
3-(5-Brom-1H-indol-3-yl)-2-thioxopropansäure [German] [ACD/IUPAC Name]
3-(5-Bromo-1H-indol-3-yl)-2-thioxopropanoic acid [ACD/IUPAC Name]
Acide 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoïque [French] [ACD/IUPAC Name]
2UD

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

Density: 1.8±0.1 g/cm3
Boiling Point: 530.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 274.3±32.9 °C
Index of Refraction: 1.768
Molar Refractivity: 69.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 84.2±3.0 dyne/cm
Molar Volume: 167.0±3.0 cm3

Click to predict properties on the Chemicalize site


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