| CAS Number | 1049762-81-3 |
| Catalog Number | AG01BD11(AGN-PC-0WOTH9) |
| Chemical Name | 1-(2-chloroethyl)-2-methyl-5-nitro-1H-imidazole hydrochloride |
| IUPAC Name | 1-(2-chloroethyl)-2-methyl-5-nitroimidazole;hydrochloride |
| InChI | InChI=1S/C6H8ClN3O2.ClH/c1-5-8-4-6(10(11)12)9(5)3-2-7;/h4H,2-3H2,1H3;1H |
| InChI Key | UZKAWHYACQAMCH-UHFFFAOYSA-N |
| MDL Number | MFCD07285220 |
| Molecular Formula | C6H9Cl2N3O2 |
| Molecular Weight | 226.0606 |
| NSC Number | 83275 |
| SMILES | Cl.CC1N(CCCl)C([N+]([O-])=O)=CN=1 |
| Synonyms | 1-(2-chloroethyl)-2-methyl-5-nitro-1H-imidazole hydrochloride,
1049762-81-3,
NSC83275,
NSC-83275,
AKOS026743144,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.057g/mol |
| Monoisotopic Mass | 225.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number