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

Base Information

• Chemical Name: 1-[2-(Methylsulfonyl)-4-nitrophenyl]piperidine-4-carboxylic acid
• CAS No.: 951624-91-2
• Molecular Formula: C13H16N2O6S
• Molecular Weight: 328.34
• Mol file: 951624-91-2.mol

Synonyms:1-[2-(Methylsulfonyl)-4-nitrophenyl]piperidine-4-carboxylic acid;951624-91-2;1-(2-methylsulfonyl-4-nitrophenyl)piperidine-4-carboxylic acid;MFCD08692393;AKOS015852394;1-[2-(Methylsulphonyl)-4-nitrophenyl]piperidine-4-carboxylic acid

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

Chemical Property:

• PKA: 4.44±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: 530

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)O

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