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Home > Imidazoles > 5213-48-9
5213-48-9 | 1,5-Dimethyl-2-nitro-1H-imidazole
CAS No: 5213-48-9 Catalog No: AG00DUWN MDL No:
Product Description
Catalog Number:
AG00DUWN
Chemical Name:
1,5-Dimethyl-2-nitro-1H-imidazole
CAS Number:
5213-48-9
IUPAC Name:
1,5-dimethyl-2-nitroimidazole
InChI:
InChI=1S/C5H7N3O2/c1-4-3-6-5(7(4)2)8(9)10/h3H,1-2H3
InChI Key:
BILWDWLNZFTXAN-UHFFFAOYSA-N
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of nitroheterocyclic carbamate prodrugs for use with nitroreductase-mediated gene-directed enzyme prodrug therapy. | Journal of medicinal chemistry 20031204 |
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