ChemSpider 2D Image | N-[(2,3-Dichloro-4-methoxyphenyl)sulfonyl]-D-valine | C12H15Cl2NO5S

N-[(2,3-Dichloro-4-methoxyphenyl)sulfonyl]-D-valine

  • Molecular FormulaC12H15Cl2NO5S
  • Average mass356.222 Da
  • Monoisotopic mass355.004791 Da
  • ChemSpider ID54273804

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Valine, N-[(2,3-dichloro-4-methoxyphenyl)sulfonyl]- [ACD/Index Name]
N-[(2,3-Dichlor-4-methoxyphenyl)sulfonyl]-D-valin [German] [ACD/IUPAC Name]
N-[(2,3-Dichloro-4-methoxyphenyl)sulfonyl]-D-valine [ACD/IUPAC Name]
N-[(2,3-Dichloro-4-méthoxyphényl)sulfonyl]-D-valine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 520.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.5±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 249.3±3.0 cm3

Click to predict properties on the Chemicalize site


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