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478079-80-0,MFCD02571285
Catalog No.:AA00IQMR

478079-80-0 | 4-[3-(benzenesulfonyl)-2-hydroxypropoxy]benzonitrile

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IQMR
Chemical Name:
4-[3-(benzenesulfonyl)-2-hydroxypropoxy]benzonitrile
CAS Number:
478079-80-0
Molecular Formula:
C16H15NO4S
Molecular Weight:
317.3596
MDL Number:
MFCD02571285
SMILES:
OC(CS(=O)(=O)c1ccccc1)COc1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
476  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.9  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
Tags:478079-80-0 Molecular Formula|478079-80-0 MDL|478079-80-0 SMILES|478079-80-0 4-[3-(benzenesulfonyl)-2-hydroxypropoxy]benzonitrile