1-(3-Bromophenyl)-4-oxocyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-(3-Bromophenyl)-4-oxocyclohexanecarboxylic acid
• CAS No.: 1385694-53-0
• Molecular Formula: C13H13BrO3
• Molecular Weight: 297.14
• DSSTox Substance ID: DTXSID50615421
• Wikidata: Q82516996
• Mol file: 1385694-53-0.mol

Synonyms:1385694-53-0;1-(3-BROMOPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID;1-(3-bromophenyl)-4-oxocyclohexane-1-carboxylic acid;MFCD22423145;Cyclohexanecarboxylic acid, 1-(3-bromophenyl)-4-oxo-;SCHEMBL11832779;DTXSID50615421;AKOS023485062;AS-69015;SY020248;CS-0320955;1-(3-BROMOPHENYL)-4-OXOCYCLOHEXANECARBOXYLICACID

Chemical Property of 1-(3-Bromophenyl)-4-oxocyclohexanecarboxylic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 296.00481
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Bromophenyl)-4-oxocyclohexanecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(CCC1=O)(C2=CC(=CC=C2)Br)C(=O)O