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

Base Information

• Chemical Name: 3-[(3-Nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide
• CAS No.: 89542-40-5
• Molecular Formula: C14H11N2O2S.Br
• DSSTox Substance ID: DTXSID60522718

Synonyms:89542-40-5;3-[(3-Nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide;DTXSID60522718

Chemical Property of 3-[(3-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=C2C(=C1)[N+](=CS2)CC3=CC(=CC=C3)[N+](=O)[O-].[Br-]

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