4-Bromo-2,1,3-benzothiadiazol-5(3H)-one

Base Information

• Chemical Name: 4-Bromo-2,1,3-benzothiadiazol-5(3H)-one
• CAS No.: 30535-76-3
• Molecular Formula: C₆H₃BrN₂OS
• Molecular Weight: 231.073
• DSSTox Substance ID: DTXSID30549311
• Wikidata: Q82428325

Synonyms:4-Bromo-2,1,3-benzothiadiazol-5(3H)-one;30535-76-3;DTXSID30549311

Chemical Property of 4-Bromo-2,1,3-benzothiadiazol-5(3H)-one

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 229.91495
• Heavy Atom Count: 11
• Complexity: 160

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Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NSN=C2C(=C1O)Br

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