2-(Butylamino)-6,7-dichloro-5,8-dihydroxynaphthalene-1,4-dione

Base Information

• Chemical Name: 2-(Butylamino)-6,7-dichloro-5,8-dihydroxynaphthalene-1,4-dione
• CAS No.: 96127-16-1
• Molecular Formula: C14H13Cl2NO4
• DSSTox Substance ID: DTXSID70538042

Synonyms:96127-16-1;2-(BUTYLAMINO)-6,7-DICHLORO-5,8-DIHYDROXYNAPHTHALENE-1,4-DIONE;DTXSID70538042

Chemical Property of 2-(Butylamino)-6,7-dichloro-5,8-dihydroxynaphthalene-1,4-dione

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 329.0221633
• Heavy Atom Count: 21
• Complexity: 468

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MSDS Files:

Useful:

• Canonical SMILES: CCCCNC1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)Cl)O

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