Butan-2-yl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate

Base Information

• Chemical Name: Butan-2-yl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate
• CAS No.: 76151-74-1
• Molecular Formula: C13H14N2O6S2
• DSSTox Substance ID: DTXSID40504976

Synonyms:76151-74-1;Butan-2-yl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate;DTXSID40504976

Chemical Property of Butan-2-yl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 358.02932852
• Heavy Atom Count: 23
• Complexity: 556

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OC(=O)CS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

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