3,7-Dichlorotropolone

Base Information

• Chemical Name: 3,7-Dichlorotropolone
• CAS No.: 20217-99-6
• Molecular Formula: C7H4Cl2O2
• Molecular Weight: 191.014
• DSSTox Substance ID: DTXSID50458310
• Nikkaji Number: J711.834A
• ChEMBL ID: CHEMBL1253549

Synonyms:3,7-Dichlorotropolone;20217-99-6;CHEMBL1253549;DTXSID50458310

Chemical Property of 3,7-Dichlorotropolone

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 189.9588348
• Heavy Atom Count: 11
• Complexity: 287

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MSDS Files:

Useful:

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

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