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Home > Imidazoles > 88054-22-2
88054-22-2 | 1H-Imidazole, 2-methyl-5-nitro-
CAS No: 88054-22-2 Catalog No: AG00IKF4 MDL No:MFCD00005191
Product Description
Catalog Number:
AG00IKF4
Chemical Name:
1H-Imidazole, 2-methyl-5-nitro-
CAS Number:
88054-22-2
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD00005191
IUPAC Name:
2-methyl-5-nitro-1H-imidazole
InChI:
InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
InChI Key:
FFYTTYVSDVWNMY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc([nH]1)C
UNII:
24AG2WW15W
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| A comparative study on vibrational, conformational and electronic structure of 1,2-dimethyl-5-nitroimidazole and 2-methyl-5-nitroimidazole. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101 |
| Ethyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate. | Acta crystallographica. Section E, Structure reports online 20101001 |
| The application of resonance light scattering technique for the determination of tinidazole in drugs. | Journal of automated methods & management in chemistry 20070101 |
| Evaluation of 99mTc(CO)3 complex of 2-methyl-5-nitroimidazole as an agent for targeting tumor hypoxia. | Bioorganic & medicinal chemistry 20061201 |
| Radiosynthesis and evaluation of two novel 123I-labeled 2-methyl-4-nitroimidazole derivatives as potential infection imaging agents. | Nuclear medicine and biology 20050501 |
| [Synthesis and antibacterial activity of ciprofloxacin derivatives]. | Yao xue xue bao = Acta pharmaceutica Sinica 20050201 |
| Synthesis and anti-tuberculosis activity of N-aryl-C-nitroazoles. | European journal of medicinal chemistry 20041001 |
| Effect of the leaving group on the electrodic reduction mechanism of anti-Helicobacter pylori metronidazole derivatives, in aprotic and protic media. | Bioelectrochemistry (Amsterdam, Netherlands) 20040601 |
| Michael addition of imidazole with acrylates catalyzed by alkaline protease from Bacillus subtilis in organic media. | Biotechnology letters 20040301 |
| The effects of the substitution on the imidazole ligand on the photochemical properties of fac-[Mn(CO)3(phen)(Imidazole)](SO3CF3) complexes. | Photochemistry and photobiology 20040101 |
| Synthesis of N-alkylated derivatives of imidazole as antibacterial agents. | Bioorganic & medicinal chemistry letters 20030901 |
| [Synthesis and antibacterial activity of pyridonecarboxylic acid derivatives containing 2-methyl-5-nitroimidazol]. | Yao xue xue bao = Acta pharmaceutica Sinica 20030401 |
| Synthesis of 3'-azolyl-2',3'-dideoxyhexose nucleosides. | Acta chemica Scandinavica (Copenhagen, Denmark : 1989) 19980701 |
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