ChemSpider 2D Image | 2-Bromo-N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-4-methylaniline | C22H18Br2N2O2S

2-Bromo-N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-4-methylaniline

  • Molecular FormulaC22H18Br2N2O2S
  • Average mass534.263 Da
  • Monoisotopic mass531.945557 Da
  • ChemSpider ID24731945

More details:

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

1H-Indole-2-methanamine, 3-bromo-N-(2-bromo-4-methylphenyl)-1-(phenylsulfonyl)- [ACD/Index Name]
2-Brom-N-{[3-brom-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-4-methylanilin [German] [ACD/IUPAC Name]
2-Bromo-N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-4-methylaniline [ACD/IUPAC Name]
2-Bromo-N-{[3-bromo-1-(phénylsulfonyl)-1H-indol-2-yl]méthyl}-4-méthylaniline [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: 659.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.5±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24186.05
ACD/KOC (pH 5.5): 47787.69
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24190.94
ACD/KOC (pH 7.4): 47797.35
Polar Surface Area: 59 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 332.5±7.0 cm3

Click to predict properties on the Chemicalize site


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