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

Base Information

• Chemical Name: 4-(4-Bromo-2-methyl-5-oxopentan-2-yl)benzoic acid
• CAS No.: 80576-85-8
• Molecular Formula: C₁₃H₁₅BrO₃
• Molecular Weight: 299.164
• DSSTox Substance ID: DTXSID40574558
• Mol file: 80576-85-8.mol

Synonyms:4-(4-Bromo-2-methyl-5-oxopentan-2-yl)benzoic acid;80576-85-8;DTXSID40574558

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

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 298.02046
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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