2,3-Dimethoxy-5-[(4-nitrophenyl)sulfanyl]naphthalene-1,4-dione

Base Information

• Chemical Name: 2,3-Dimethoxy-5-[(4-nitrophenyl)sulfanyl]naphthalene-1,4-dione
• CAS No.: 89227-03-2
• Molecular Formula: C18H13NO6S
• DSSTox Substance ID: DTXSID60532256
• Wikidata: Q82404720

Synonyms:89227-03-2;SCHEMBL11148101;DTXSID60532256;2,3-Dimethoxy-5-[(4-nitrophenyl)sulfanyl]naphthalene-1,4-dione

Chemical Property of 2,3-Dimethoxy-5-[(4-nitrophenyl)sulfanyl]naphthalene-1,4-dione

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 371.04635831
• Heavy Atom Count: 26
• Complexity: 620

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=O)C2=C(C1=O)C=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-])OC

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