ChemSpider 2D Image | 2-Bromo-N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}aniline | C21H16Br2N2O2S

2-Bromo-N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}aniline

  • Molecular FormulaC21H16Br2N2O2S
  • Average mass520.237 Da
  • Monoisotopic mass517.929932 Da
  • ChemSpider ID4406339

More details:

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

1H-Indole-2-methanamine, 3-bromo-N-(2-bromophenyl)-1-(phenylsulfonyl)- [ACD/Index Name]
2-Brom-N-{[3-brom-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}anilin [German] [ACD/IUPAC Name]
2-Bromo-N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}aniline [ACD/IUPAC Name]
2-Bromo-N-{[3-bromo-1-(phénylsulfonyl)-1H-indol-2-yl]méthyl}aniline [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 656.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.6±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 121.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14607.68
ACD/KOC (pH 5.5): 33310.97
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14608.55
ACD/KOC (pH 7.4): 33312.95
Polar Surface Area: 59 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 317.4±7.0 cm3

Click to predict properties on the Chemicalize site


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