3-[(2-Nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide

Base Information

• Chemical Name: 3-[(2-Nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide
• CAS No.: 89542-39-2
• Molecular Formula: C14H11N2O2S.Br
• DSSTox Substance ID: DTXSID00522717

Synonyms:89542-39-2;3-[(2-Nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide;DTXSID00522717

Chemical Property of 3-[(2-Nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 349.97246
• Heavy Atom Count: 20
• Complexity: 334

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C[N+]2=CSC3=CC=CC=C32)[N+](=O)[O-].[Br-]

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