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Home Fluorides 1025218-95-4
1025218-95-4,MFCD01859633
Catalog No.:AA00ITFT

1025218-95-4 | ethyl (2E)-2-cyano-3-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}prop-2-enoate

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Technical Information
Catalog Number:
AA00ITFT
Chemical Name:
ethyl (2E)-2-cyano-3-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}prop-2-enoate
CAS Number:
1025218-95-4
Molecular Formula:
C16H17F3N4O2
Molecular Weight:
354.3270
MDL Number:
MFCD01859633
SMILES:
CCOC(=O)/C(=C/N1CCN(CC1)c1ccc(cn1)C(F)(F)F)/C#N
Properties
Computed Properties
 
Complexity:
547  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
9  
Rotatable Bond Count:
5  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.5  

Literature
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SDS
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Tags:1025218-95-4 Molecular Formula|1025218-95-4 MDL|1025218-95-4 SMILES|1025218-95-4 ethyl (2E)-2-cyano-3-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}prop-2-enoate