(Z)-3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonate

Base Information

• Chemical Name: (Z)-3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonate
• CAS No.: 5956-51-4
• Molecular Formula: C16H16ClNO4S
• Molecular Weight: 353.8205
• DSSTox Substance ID: DTXSID40365180
• ChEMBL ID: CHEMBL1373996

Synonyms:5956-51-4;ST080921;MLS000712044;CHEMBL1373996;DTXSID40365180;HMS2644N13;CCG-13443;AKOS000605684;AKOS024285083;SMR000281811;BIM-0021645.P001

Chemical Property of (Z)-3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 353.0488569
• Heavy Atom Count: 23
• Complexity: 473

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C(CS(=O)(=O)[O-])C2=CC=[N+](C=C2)CCO)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=C(\CS(=O)(=O)[O-])/C2=CC=[N+](C=C2)CCO)Cl

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