ChemSpider 2D Image | 1-({[(1S)-1-(4-Chlorophenyl)ethyl]sulfonyl}methyl)-2-isopropoxybenzene | C18H21ClO3S

1-({[(1S)-1-(4-Chlorophenyl)ethyl]sulfonyl}methyl)-2-isopropoxybenzene

  • Molecular FormulaC18H21ClO3S
  • Average mass352.875 Da
  • Monoisotopic mass352.089996 Da
  • ChemSpider ID62422050

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-({[(1S)-1-(4-Chlorophenyl)ethyl]sulfonyl}methyl)-2-isopropoxybenzene [ACD/IUPAC Name]
1-({[(1S)-1-(4-Chlorophényl)éthyl]sulfonyl}méthyl)-2-isopropoxybenzène [French] [ACD/IUPAC Name]
1-({[(1S)-1-(4-Chlorphenyl)ethyl]sulfonyl}methyl)-2-isopropoxybenzol [German] [ACD/IUPAC Name]
Benzene, 1-[[[(1S)-1-(4-chlorophenyl)ethyl]sulfonyl]methyl]-2-(1-methylethoxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 517.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 267.0±28.7 °C
Index of Refraction: 1.564
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1046.67
ACD/KOC (pH 5.5): 5048.71
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1046.67
ACD/KOC (pH 7.4): 5048.71
Polar Surface Area: 52 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 290.6±3.0 cm3

Click to predict properties on the Chemicalize site


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