ChemSpider 2D Image | Breitfussin A | C16H11BrIN3O2

Breitfussin A

  • Molecular FormulaC16H11BrIN3O2
  • Average mass484.086 Da
  • Monoisotopic mass482.907928 Da
  • ChemSpider ID28296484

More details:






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

1H-Indole, 6-bromo-3-[4-iodo-2-(1H-pyrrol-2-yl)-5-oxazolyl]-4-methoxy- [ACD/Index Name]
6-Brom-3-[4-iod-2-(1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-4-methoxy-1H-indol [German] [ACD/IUPAC Name]
6-Bromo-3-[4-iodo-2-(1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-4-methoxy-1H-indole [ACD/IUPAC Name]
6-Bromo-3-[4-iodo-2-(1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-4-méthoxy-1H-indole [French] [ACD/IUPAC Name]
Breitfussin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 673.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 361.1±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 582.51
ACD/KOC (pH 5.5): 3318.98
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 582.51
ACD/KOC (pH 7.4): 3318.99
Polar Surface Area: 67 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 249.0±3.0 cm3

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