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213994-13-9,MFCD00172229
Catalog No.:AA00ISI1

213994-13-9 | 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(3-chlorophenyl)acetonitrile

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  • Technical Information
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Technical Information
Catalog Number:
AA00ISI1
Chemical Name:
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(3-chlorophenyl)acetonitrile
CAS Number:
213994-13-9
Molecular Formula:
C14H7Cl2F3N2
Molecular Weight:
331.1200
MDL Number:
MFCD00172229
SMILES:
N#CC(c1ncc(cc1Cl)C(F)(F)F)c1cccc(c1)Cl
Properties
Computed Properties
 
Complexity:
407  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.4  

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:213994-13-9 Molecular Formula|213994-13-9 MDL|213994-13-9 SMILES|213994-13-9 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(3-chlorophenyl)acetonitrile