4-[(1,1,3-Trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetyl]benzoic acid

Base Information

• Chemical Name: 4-[(1,1,3-Trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetyl]benzoic acid
• CAS No.: 96128-51-7
• Molecular Formula: C16H11NO6S
• DSSTox Substance ID: DTXSID40601378
• Wikidata: Q82498001

Synonyms:96128-51-7;SCHEMBL9168762;DTXSID40601378;4-[(1,1,3-Trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetyl]benzoic acid

Chemical Property of 4-[(1,1,3-Trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetyl]benzoic acid

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 345.03070824
• Heavy Atom Count: 24
• Complexity: 644

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=C(C=C3)C(=O)O

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