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AI30763

1341034-65-8 | 2-Cyano-5-fluoro-nicotinic acid tert-butyl ester

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Description
Catalog Number: AI30763
Chemical Name: 2-Cyano-5-fluoro-nicotinic acid tert-butyl ester
CAS Number: 1341034-65-8
Molecular Formula: C11H12FN3O2
Molecular Weight: 237.2303
MDL Number: MFCD29916999
SMILES: N#Cc1ncc(cc1NC(=O)OC(C)(C)C)F

 

Computed Properties
Complexity: 331  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 3  
XLogP3: 2.1  

 

 

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