ChemSpider 2D Image | Methyl (2E)-3-{6-chloro-2'-[(S)-(4-methylphenyl)sulfinyl]-2-biphenylyl}acrylate | C23H19ClO3S

Methyl (2E)-3-{6-chloro-2'-[(S)-(4-methylphenyl)sulfinyl]-2-biphenylyl}acrylate

  • Molecular FormulaC23H19ClO3S
  • Average mass410.913 Da
  • Monoisotopic mass410.074341 Da
  • ChemSpider ID74178795

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-{6-Chloro-2'-[(S)-(4-méthylphényl)sulfinyl]-2-biphénylyl}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[6-chloro-2'-[(S)-(4-methylphenyl)sulfinyl][1,1'-biphenyl]-2-yl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-{6-chloro-2'-[(S)-(4-methylphenyl)sulfinyl]-2-biphenylyl}acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-{6-chlor-2'-[(S)-(4-methylphenyl)sulfinyl]-2-biphenylyl}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1490.48
ACD/KOC (pH 5.5): 6502.28
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1490.48
ACD/KOC (pH 7.4): 6502.28
Polar Surface Area: 63 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 307.6±5.0 cm3

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