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Home > Imidazoles > 342801-48-3
342801-48-3 | Ethanone, 2-(2-methyl-1H-imidazol-1-yl)-1-(4-nitrophenyl)-
CAS No: 342801-48-3 Catalog No: AG007GVS MDL No:MFCD12061488
Product Description
Catalog Number:
AG007GVS
Chemical Name:
Ethanone, 2-(2-methyl-1H-imidazol-1-yl)-1-(4-nitrophenyl)-
CAS Number:
342801-48-3
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
MDL Number:
MFCD12061488
IUPAC Name:
2-(2-methylimidazol-1-yl)-1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C12H11N3O3/c1-9-13-6-7-14(9)8-12(16)10-2-4-11(5-3-10)15(17)18/h2-7H,8H2,1H3
InChI Key:
SDQNOFICLCGYFJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Cn1ccnc1C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Novel inhibitors of nitric oxide synthase with antioxidant properties. | European journal of medicinal chemistry 20120301 |
| Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase. | Bioorganic & medicinal chemistry 20080601 |
| Inhibition of neuronal nitric oxide synthase by N-phenacyl imidazoles. | Nitric oxide : biology and chemistry 20010201 |
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