5-Bromobenzo[b]thiophene-2,3-dione

Base Information

• Chemical Name: 5-Bromobenzo[b]thiophene-2,3-dione
• CAS No.: 50891-90-2
• Molecular Formula: C8H3 Br O2 S
• Molecular Weight: 243.081
• DSSTox Substance ID: DTXSID20496522
• Wikidata: Q82345454
• Mol file: 50891-90-2.mol

Synonyms:5-bromobenzo[b]thiophene-2,3-dione;50891-90-2;5-BROMO-1-BENZOTHIOPHENE-2,3-DIONE;Benzo[b]thiophene-2,3-dione,5-bromo-;SCHEMBL19202457;DTXSID20496522;AKOS026735806

Chemical Property of 5-Bromobenzo[b]thiophene-2,3-dione

Chemical Property:

• PSA: 59.44000
• LogP: 2.26410
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 241.90371
• Heavy Atom Count: 12
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)S2

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