3-(4-Cyano-benzenesulfonyl)-azetidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-(4-Cyano-benzenesulfonyl)-azetidine-1-carboxylic acid tert-butyl ester
• CAS No.: 887586-94-9
• Molecular Formula: C15H18 N2 O4 S
• Molecular Weight: 322.38
• DSSTox Substance ID: DTXSID10698816
• Wikidata: Q82629307
• Mol file: 887586-94-9.mol

Synonyms:887586-94-9;3-(4-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;DTXSID10698816;tert-Butyl 3-((4-cyanophenyl)sulfonyl)azetidine-1-carboxylate;tert-Butyl 3-(4-cyanobenzene-1-sulfonyl)azetidine-1-carboxylate;TERT-BUTYL 3-(4-CYANOBENZENESULFONYL)AZETIDINE-1-CARBOXYLATE

Chemical Property of 3-(4-Cyano-benzenesulfonyl)-azetidine-1-carboxylic acid tert-butyl ester

Chemical Property:

• PSA: 95.85000
• LogP: 2.96998
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 322.09872823
• Heavy Atom Count: 22
• Complexity: 565

Purity/Quality:

99%min ^*data from raw suppliers

3-(4-cyano-benzenesulfonyl)-azetidine-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)N1CC(C1)S(=O)(=O)C2=CC=C(C=C2)C#N