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Home > Imidazoles > 19183-16-5
19183-16-5 | 2-Methyl-4,5-dinitro-1H-imidazole
CAS No: 19183-16-5 Catalog No: AG00JA4V MDL No:MFCD00649930
Product Description
Catalog Number:
AG00JA4V
Chemical Name:
2-Methyl-4,5-dinitro-1H-imidazole
CAS Number:
19183-16-5
Molecular Formula:
C4H4N4O4
Molecular Weight:
172.0990
MDL Number:
MFCD00649930
IUPAC Name:
2-methyl-4,5-dinitro-1H-imidazole
InChI:
InChI=1S/C4H4N4O4/c1-2-5-3(7(9)10)4(6-2)8(11)12/h1H3,(H,5,6)
InChI Key:
MGUZJNXSLXRCLT-UHFFFAOYSA-N
SMILES:
Cc1nc(c([nH]1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.1g/mol
Monoisotopic Mass:
172.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis of 2,3-dihydro-7-nitroimidazo[5,1-b]oxazoles as potential tuberculostatic agents. | Acta poloniae pharmaceutica 20080101 |
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