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568543-80-6,MFCD03964715
Catalog No.:AA019HUB

568543-80-6 | 3-(4-Acetylamino-benzenesulfonylamino)-3-(2-chloro-phenyl)-propionic acid

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Technical Information
Catalog Number:
AA019HUB
Chemical Name:
3-(4-Acetylamino-benzenesulfonylamino)-3-(2-chloro-phenyl)-propionic acid
CAS Number:
568543-80-6
Molecular Formula:
C17H17ClN2O5S
Molecular Weight:
396.8453
MDL Number:
MFCD03964715
SMILES:
OC(=O)CC(c1ccccc1Cl)NS(=O)(=O)c1ccc(cc1)NC(=O)C
Properties
Computed Properties
 
Complexity:
599  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.7  

Literature
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Additional Info:
SDS
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Tags:568543-80-6 Molecular Formula|568543-80-6 MDL|568543-80-6 SMILES|568543-80-6 3-(4-Acetylamino-benzenesulfonylamino)-3-(2-chloro-phenyl)-propionic acid