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301194-41-2,MFCD00955113
Catalog No.:AA00IWRD

301194-41-2 | 2-[(4-bromophenyl)sulfanyl]-4-(4-fluorophenyl)-4-oxobutanoic acid

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IWRD
Chemical Name:
2-[(4-bromophenyl)sulfanyl]-4-(4-fluorophenyl)-4-oxobutanoic acid
CAS Number:
301194-41-2
Molecular Formula:
C16H12BrFO3S
Molecular Weight:
383.2321
MDL Number:
MFCD00955113
SMILES:
Fc1ccc(cc1)C(=O)CC(C(=O)O)Sc1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
391  
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:
4.2  

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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Tags:301194-41-2 Molecular Formula|301194-41-2 MDL|301194-41-2 SMILES|301194-41-2 2-[(4-bromophenyl)sulfanyl]-4-(4-fluorophenyl)-4-oxobutanoic acid