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

Base Information

• Chemical Name: Prop-2-en-1-yl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate
• CAS No.: 76151-73-0
• Molecular Formula: C12H10N2O6S2
• DSSTox Substance ID: DTXSID80504975
• Wikidata: Q82359783

Synonyms:76151-73-0;DTXSID80504975;Prop-2-en-1-yl (6-nitro-1,3-benzothiazole-2-sulfonyl)acetate

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

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 341.99802839
• Heavy Atom Count: 22
• Complexity: 553

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MSDS Files:

SDS file from LookChem

Useful:

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

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