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Home > Imidazoles > 141363-20-4
141363-20-4 | 1H-Imidazole, 1-methyl-2-(2-methyl-2-nitropropyl)-5-nitro-
CAS No: 141363-20-4 Catalog No: AG001GAB MDL No:
Product Description
Catalog Number:
AG001GAB
Chemical Name:
1H-Imidazole, 1-methyl-2-(2-methyl-2-nitropropyl)-5-nitro-
CAS Number:
141363-20-4
Molecular Formula:
C8H12N4O4
Molecular Weight:
228.2053
IUPAC Name:
1-methyl-2-(2-methyl-2-nitropropyl)-5-nitroimidazole
InChI:
InChI=1S/C8H12N4O4/c1-8(2,12(15)16)4-6-9-5-7(10(6)3)11(13)14/h5H,4H2,1-3H3
InChI Key:
PTKNHRQHWSKGIZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)CC([N+](=O)[O-])(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.208g/mol
Monoisotopic Mass:
228.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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