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AB52942

54226-23-2 | Methyl 3,4-diamino-5-nitrobenzoate

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Description
Catalog Number: AB52942
Chemical Name: Methyl 3,4-diamino-5-nitrobenzoate
CAS Number: 54226-23-2
Molecular Formula: C8H9N3O4
Molecular Weight: 211.1748
MDL Number: MFCD25964400
SMILES: COC(=O)c1cc(N)c(c(c1)[N+](=O)[O-])N

 

Computed Properties
Complexity: 265  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 2  
XLogP3: 0.8  

 

 

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