3,4-Dichloro-5,6-dioxocyclohexa-1,3-diene-1,2-dicarbonitrile

Base Information

• Chemical Name: 3,4-Dichloro-5,6-dioxocyclohexa-1,3-diene-1,2-dicarbonitrile
• CAS No.: 98166-92-8
• Molecular Formula: C₈Cl₂N₂O₂
• Molecular Weight: 227.006
• DSSTox Substance ID: DTXSID40706933
• Nikkaji Number: J1.719.895E
• Wikidata: Q82640499

Synonyms:98166-92-8;3,4-Dichloro-5,6-dioxocyclohexa-1,3-diene-1,2-dicarbonitrile;SCHEMBL383049;DTXSID40706933;3,4-Dichloro-5,6-dicyano-1,2-benzoquinone

Chemical Property of 3,4-Dichloro-5,6-dioxocyclohexa-1,3-diene-1,2-dicarbonitrile

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 225.9336826
• Heavy Atom Count: 14
• Complexity: 510

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C1=C(C(=O)C(=O)C(=C1Cl)Cl)C#N

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