| CAS Number | 133587-87-8 |
| Catalog Number | AG019SN1(AGN-PC-003FKM) |
| Chemical Name | 5-(chloromethyl)-1-methyl-4-nitro-1H-imidazole |
| IUPAC Name | 5-(chloromethyl)-1-methyl-4-nitroimidazole |
| InChI | InChI=1S/C5H6ClN3O2/c1-8-3-7-5(9(10)11)4(8)2-6/h3H,2H2,1H3 |
| InChI Key | ZADABFJLBASRIB-UHFFFAOYSA-N |
| MDL Number | MFCD11557211 |
| Molecular Formula | C5H6ClN3O2 |
| Molecular Weight | 175.5730 |
| SMILES | CN1C(CCl)=C([N+]([O-])=O)N=C1 |
| Synonyms | 5-(chloromethyl)-1-methyl-4-nitro-1H-imidazole,
133587-87-8,
1H-Imidazole, 5-(chloromethyl)-1-methyl-4-nitro-,
SCHEMBL10102691,
ZINC26506775,
AKOS006315977,
NE39530,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.572g/mol |
| Monoisotopic Mass | 175.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number