2-(4-Sec-butylphenyl)-7-chloro-8-methylquinoline-4-carboxylic acid

Base Information

• Chemical Name: 2-(4-Sec-butylphenyl)-7-chloro-8-methylquinoline-4-carboxylic acid
• CAS No.: 590350-41-7
• Molecular Formula: C21H20ClNO2
• Molecular Weight: 353.8
• DSSTox Substance ID: DTXSID501147606
• Mol file: 590350-41-7.mol

Synonyms:2-(4-sec-butylphenyl)-7-chloro-8-methylquinoline-4-carboxylic acid;590350-41-7;2-(4-butan-2-ylphenyl)-7-chloro-8-methylquinoline-4-carboxylic acid;2-(4-(sec-Butyl)phenyl)-7-chloro-8-methylquinoline-4-carboxylic acid;2-[4-(butan-2-yl)phenyl]-7-chloro-8-methylquinoline-4-carboxylic acid;Oprea1_646925;DTXSID501147606;BBL016997;MFCD03422143;STK438769;AKOS003323416;SB72661;VS-05757;2-(4-(sec-Butyl)phenyl)-7-chloro-8-methylquinoline-4-carboxylicacid;7-Chloro-8-methyl-2-[4-(1-methylpropyl)phenyl]-4-quinolinecarboxylic acid

Chemical Property of 2-(4-Sec-butylphenyl)-7-chloro-8-methylquinoline-4-carboxylic acid

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 353.1182566
• Heavy Atom Count: 25
• Complexity: 463

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-sec-Butylphenyl)-7-chloro-8-methylquinoline-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)O