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19183-15-4 | 1H-Imidazole, 1-methyl-4,5-dinitro-
CAS No: 19183-15-4 Catalog No: AG002FI2 MDL No:
Product Description
Catalog Number:
AG002FI2
Chemical Name:
1H-Imidazole, 1-methyl-4,5-dinitro-
CAS Number:
19183-15-4
Molecular Formula:
C4H4N4O4
Molecular Weight:
172.0990
IUPAC Name:
1-methyl-4,5-dinitroimidazole
InChI:
InChI=1S/C4H4N4O4/c1-6-2-5-3(7(9)10)4(6)8(11)12/h2H,1H3
InChI Key:
QKPRSIGTZWYCEV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n(C)cnc1[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:
0
Isotope Atom Count:
0
Molecular Weight:
172.1g/mol
Monoisotopic Mass:
172.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| 1-Methyl-4,5-dinitro-1H-imidazole. | Acta crystallographica. Section E, Structure reports online 20091201 |
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