1-[3-(Ethoxycarbonyl)cyclohepta[b]pyrrol-2-yl]pyridin-1-ium chloride

Base Information

• Chemical Name: 1-[3-(Ethoxycarbonyl)cyclohepta[b]pyrrol-2-yl]pyridin-1-ium chloride
• CAS No.: 52025-84-0
• Molecular Formula: C17H15N2O2.Cl
• DSSTox Substance ID: DTXSID80568951
• Mol file: 52025-84-0.mol

Synonyms:52025-84-0;DTXSID80568951;1-[3-(Ethoxycarbonyl)cyclohepta[b]pyrrol-2-yl]pyridin-1-ium chloride

Chemical Property of 1-[3-(Ethoxycarbonyl)cyclohepta[b]pyrrol-2-yl]pyridin-1-ium chloride

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 314.0822054
• Heavy Atom Count: 22
• Complexity: 355

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C2C1=CC=CC=C2)[N+]3=CC=CC=C3.[Cl-]

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