3-(4-Chloro-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-(4-Chloro-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
• CAS No.: 887587-54-4
• Molecular Formula: C15H20 Cl N O4 S
• Molecular Weight: 345.84
• DSSTox Substance ID: DTXSID70698812
• Mol file: 887587-54-4.mol

Synonyms:887587-54-4;tert-Butyl 3-((4-chlorophenyl)sulfonyl)pyrrolidine-1-carboxylate;3-(4-chlorophenylsulfonyl)pyrrolidine-1-carboxylic acid tert-butyl ester;3-(4-CHLORO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;DTXSID70698812;SB49041;tert-Butyl 3-(4-chlorobenzene-1-sulfonyl)pyrrolidine-1-carboxylate

Chemical Property of 3-(4-Chloro-benzenesulfonyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Chemical Property:

• PSA: 72.06000
• LogP: 4.14180
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 345.0801570
• Heavy Atom Count: 22
• Complexity: 501

Purity/Quality:

99%min ^*data from raw suppliers

3-(4-chloro-benzenesulfonyl)-pyrrolidine-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)N1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)Cl