1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-

Base Information

• Chemical Name: 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-
• CAS No.: 112404-26-9
• Molecular Formula: C15H15BrO3
• Molecular Weight: 323.18200
• DSSTox Substance ID: DTXSID50401048
• Mol file: 112404-26-9.mol

Synonyms:112404-26-9;1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-;2-[2-(4-bromophenyl)-2-oxoethyl]-5-methylcyclohexane-1,3-dione;2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5-METHYLCYCLOHEXANE-1,3-DIONE;starbld0026789;DTXSID50401048;MFCD00170498;AKOS022169313;MS-11081

Chemical Property of 1,3-Cyclohexanedione, 2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-

Chemical Property:

• PSA: 51.21000
• LogP: 3.20620
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 322.02046
• Heavy Atom Count: 19
• Complexity: 365

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C(C(=O)C1)CC(=O)C2=CC=C(C=C2)Br