1-[4-(Methylsulfonyl)-2-nitrophenyl]piperidine-3-carboxylic acid

Base Information

• Chemical Name: 1-[4-(Methylsulfonyl)-2-nitrophenyl]piperidine-3-carboxylic acid
• CAS No.: 951625-01-7
• Molecular Formula: C13H16N2O6S
• Molecular Weight: 328.34
• Mol file: 951625-01-7.mol

Synonyms:951625-01-7;1-[4-(methylsulfonyl)-2-nitrophenyl]piperidine-3-carboxylic acid;1-(4-Methylsulfonyl-2-nitrophenyl)piperidine-3-carboxylic acid;1-(4-(Methylsulfonyl)-2-nitrophenyl)piperidine-3-carboxylic acid;1-[4-(methylsulphonyl)-2-nitrophenyl]piperidine-3-carboxylic acid;1-(4-methanesulfonyl-2-nitrophenyl)piperidine-3-carboxylic acid;MFCD08692430;AKOS015852525;1-(4-(Methylsulfonyl)-2-nitrophenyl)piperidine-3-carboxylicacid

Chemical Property of 1-[4-(Methylsulfonyl)-2-nitrophenyl]piperidine-3-carboxylic acid

Chemical Property:

• PKA: 4.38±0.20(Predicted)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 328.07290741
• Heavy Atom Count: 22
• Complexity: 538

Purity/Quality:

98%min ^*data from raw suppliers

1-[4-(Methylsulfonyl)-2-nitrophenyl]piperidine-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)[N+](=O)[O-]