4-(4-Bromo-5-oxopentan-2-yl)benzoic acid

Base Information

• Chemical Name: 4-(4-Bromo-5-oxopentan-2-yl)benzoic acid
• CAS No.: 80576-74-5
• Molecular Formula: C₁₂H₁₃BrO₃
• Molecular Weight: 285.137
• DSSTox Substance ID: DTXSID20574556
• Mol file: 80576-74-5.mol

Synonyms:4-(4-Bromo-5-oxopentan-2-yl)benzoic acid;80576-74-5;DTXSID20574556

Chemical Property of 4-(4-Bromo-5-oxopentan-2-yl)benzoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 284.00481
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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