ChemSpider 2D Image | 1-Bromo-4-[(2S)-1-fluoro-1,1-bis(phenylsulfonyl)-3-buten-2-yl]benzene | C22H18BrFO4S2

1-Bromo-4-[(2S)-1-fluoro-1,1-bis(phenylsulfonyl)-3-buten-2-yl]benzene

  • Molecular FormulaC22H18BrFO4S2
  • Average mass509.408 Da
  • Monoisotopic mass507.981384 Da
  • ChemSpider ID30653157

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Brom-4-[(2S)-1-fluor-1,1-bis(phenylsulfonyl)-3-buten-2-yl]benzol [German] [ACD/IUPAC Name]
1-Bromo-4-[(2S)-1-fluoro-1,1-bis(phenylsulfonyl)-3-buten-2-yl]benzene [ACD/IUPAC Name]
1-Bromo-4-[(2S)-1-fluoro-1,1-bis(phénylsulfonyl)-3-butén-2-yl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-bromo-4-[(1S)-1-[fluorobis(phenylsulfonyl)methyl]-2-propen-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 677.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 119.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5622.41
ACD/KOC (pH 5.5): 16818.48
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5622.41
ACD/KOC (pH 7.4): 16818.48
Polar Surface Area: 85 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 345.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement