4-Bromo-3,3-dimethylbutan-2-one

Base Information

• Chemical Name: 4-Bromo-3,3-dimethylbutan-2-one
• CAS No.: 19961-40-1
• Molecular Formula: C6H11BrO
• Molecular Weight: 179.057
• DSSTox Substance ID: DTXSID70555719
• Wikidata: Q82437128

Synonyms:19961-40-1;SCHEMBL477823;DTXSID70555719;4-Bromo-3,3-dimethylbutan-2-one

Chemical Property of 4-Bromo-3,3-dimethylbutan-2-one

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 177.99933
• Heavy Atom Count: 8
• Complexity: 96.7

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C)(C)CBr

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