3-(3-Bromo-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-(3-Bromo-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester
• CAS No.: 887590-11-6
• Molecular Formula: C16H22 Br N O4 S
• Molecular Weight: 404.32
• DSSTox Substance ID: DTXSID00698764
• Mol file: 887590-11-6.mol

Synonyms:887590-11-6;3-(3-BROMO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;3-(3-bromophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester;DTXSID00698764;tert-Butyl 3-(3-bromobenzene-1-sulfonyl)piperidine-1-carboxylate

Chemical Property of 3-(3-Bromo-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester

Chemical Property:

• PSA: 72.06000
• LogP: 4.64100
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 403.04529
• Heavy Atom Count: 23
• Complexity: 523

Purity/Quality:

99%min ^*data from raw suppliers

3-(3-bromo-benzenesulfonyl)-piperidine-1-carboxylicacidtert-butylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)C2=CC(=CC=C2)Br