3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide

Base Information

• Chemical Name: 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
• CAS No.: 26535-84-2
• Molecular Formula: C16H16NO3.Br
• Molecular Weight: 350.212
• DSSTox Substance ID: DTXSID50385672
• ChEMBL ID: CHEMBL1477400

Synonyms:26535-84-2;3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide;ethyl 1-phenacylpyridin-1-ium-3-carboxylate;bromide;MLS000551903;CHEMBL1477400;DTXSID50385672;HMS2568E20;AKOS024427369;SMR000174790;3-Ethoxycarbonyl-1-(2-oxo-2-phenyl-ethyl)-pyridinium

Chemical Property of 3-(Ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 349.03136
• Heavy Atom Count: 21
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=CC=C2.[Br-]

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