6-Chloro-3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide

Base Information

• Chemical Name: 6-Chloro-3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide
• CAS No.: 89542-81-4
• Molecular Formula: C14H10ClN2O2S.Br
• DSSTox Substance ID: DTXSID80522750

Synonyms:89542-81-4;DTXSID80522750;6-Chloro-3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium bromide

Chemical Property of 6-Chloro-3-[(4-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: 383.93349
• Heavy Atom Count: 21
• Complexity: 358

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C[N+]2=CSC3=C2C=CC(=C3)Cl)[N+](=O)[O-].[Br-]

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