1,1',3,3'-Tetrachloro-2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione

Base Information

• Chemical Name: 1,1',3,3'-Tetrachloro-2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione
• CAS No.: 20516-33-0
• Molecular Formula: C30H18Cl4O8
• Molecular Weight: 648.27
• DSSTox Substance ID: DTXSID00702456
• Nikkaji Number: J16.801G
• Wikidata: Q82634371
• Mol file: 20516-33-0.mol

Synonyms:20516-33-0;DTXSID00702456;1,1',3,3'-Tetrachloro-2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione;20752-80-1

Chemical Property of 1,1',3,3'-Tetrachloro-2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione

Chemical Property:

• PSA: 155.52000
• LogP: 7.20340
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 647.972628
• Heavy Atom Count: 42
• Complexity: 1000

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC(=C5)C)O)C(=O)C6=C4C(=C(C(=C6O)Cl)O)Cl)C(=C(C(=C3O)Cl)O)Cl