2,3-Dimethoxy-5-(4-nitrobenzene-1-sulfinyl)naphthalene-1,4-dione

Base Information

• Chemical Name: 2,3-Dimethoxy-5-(4-nitrobenzene-1-sulfinyl)naphthalene-1,4-dione
• CAS No.: 89227-21-4
• Molecular Formula: C18H13NO7S
• DSSTox Substance ID: DTXSID60532271

Synonyms:89227-21-4;SCHEMBL11142230;DTXSID60532271;2,3-Dimethoxy-5-(4-nitrobenzene-1-sulfinyl)naphthalene-1,4-dione

Chemical Property of 2,3-Dimethoxy-5-(4-nitrobenzene-1-sulfinyl)naphthalene-1,4-dione

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 387.04127293
• Heavy Atom Count: 27
• Complexity: 690

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=O)C2=C(C1=O)C=CC=C2S(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

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