5-[(2-Chlorophenyl)sulfanyl]-2,3-dimethoxynaphthalene-1,4-dione

Base Information

• Chemical Name: 5-[(2-Chlorophenyl)sulfanyl]-2,3-dimethoxynaphthalene-1,4-dione
• CAS No.: 89226-95-9
• Molecular Formula: C18H13ClO4S
• DSSTox Substance ID: DTXSID30532248
• Wikidata: Q82404706

Synonyms:89226-95-9;SCHEMBL11142654;DTXSID30532248;5-[(2-Chlorophenyl)sulfanyl]-2,3-dimethoxynaphthalene-1,4-dione

Chemical Property of 5-[(2-Chlorophenyl)sulfanyl]-2,3-dimethoxynaphthalene-1,4-dione

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 360.0223078
• Heavy Atom Count: 24
• Complexity: 547

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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=CC=C3Cl)OC

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