| CAS Number | 86072-07-3 |
| Catalog Number | AG008FJB(AGN-PC-0JL0SR) |
| Chemical Name | 2-Chloro-1-methyl-5-nitro-1H-imidazole |
| IUPAC Name | 2-chloro-1-methyl-5-nitroimidazole |
| InChI | InChI=1S/C4H4ClN3O2/c1-7-3(8(9)10)2-6-4(7)5/h2H,1H3 |
| InChI Key | IYVKWWTVJQDECA-UHFFFAOYSA-N |
| MDL Number | MFCD28390142 |
| Molecular Formula | C4H4ClN3O2 |
| Molecular Weight | 161.5465 |
| SMILES | [O-][N+](=O)c1cnc(n1C)Cl |
| Synonyms | 86072-07-3,
2-CHLORO-1-METHYL-5-NITRO-1H-IMIDAZOLE,
1H-Imidazole,2-chloro-1-methyl-5-nitro-,
2-chloro-1-methyl-5-nitroimidazole,
2-CHLORO-1-METHYL-5-NITRO-IMIDAZOLE,
AC1L1J57,
CTK5F6236,
DTXSID80235373,
ZINC2021296,
AKOS023569740,
CID55467,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.545g/mol |
| Monoisotopic Mass | 160.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number