ChemSpider 2D Image | (2S)-3-Ammonio-2-(4-chlorophenyl)-1-propanesulfonate | C9H12ClNO3S

(2S)-3-Ammonio-2-(4-chlorophenyl)-1-propanesulfonate

  • Molecular FormulaC9H12ClNO3S
  • Average mass249.714 Da
  • Monoisotopic mass249.022644 Da
  • ChemSpider ID32787247

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Ammonio-2-(4-chlorophenyl)-1-propanesulfonate [ACD/IUPAC Name]
(2S)-3-Ammonio-2-(4-chlorophényl)-1-propanesulfonate [French] [ACD/IUPAC Name]
(2S)-3-Ammonio-2-(4-chlorphenyl)-1-propansulfonat [German] [ACD/IUPAC Name]
Benzeneethanesulfonic acid, β-(aminomethyl)-4-chloro-, (βS)- [ACD/Index Name]
125464-42-8 [RN]
Saclofen [Wiki]
UNII-LRZ36BCQ1Y

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement