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Home Amines 54226-23-2
54226-23-2,MFCD25964400
Catalog No.:AA003A36

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

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Technical Information
Catalog Number:
AA003A36
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
Properties
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  

Literature
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Additional Info:
SDS
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Tags:54226-23-2 Molecular Formula|54226-23-2 MDL|54226-23-2 SMILES|54226-23-2 Methyl 3,4-diamino-5-nitrobenzoate