| CAS Number | 1390654-37-1 |
| Catalog Number | AG00J2OV(AGN-PC-0WB6RP) |
| Chemical Name | 2-(Chloromethyl)-4,5-dimethyl-1H-imidazole hydrochloride |
| IUPAC Name | 2-(chloromethyl)-4,5-dimethyl-1H-imidazole;hydrochloride |
| InChI | InChI=1S/C6H9ClN2.ClH/c1-4-5(2)9-6(3-7)8-4;/h3H2,1-2H3,(H,8,9);1H |
| InChI Key | AMHXOWIZDUYCPO-UHFFFAOYSA-N |
| MDL Number | MFCD22666505 |
| Molecular Formula | C6H10Cl2N2 |
| Molecular Weight | 181.0630 |
| SMILES | N1=C(CCl)NC(C)=C1C.Cl |
| Synonyms | 2-(Chloromethyl)-4,5-dimethyl-1H-imidazole hydrochloride,
1390654-37-1,
ZX-CM010277,
MFCD22666505,
AKOS027426403,
2-(Chloromethyl)-4,5-dimethyl-1H-imidazole hydrochloride, AldrichCPR,
|
| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.06g/mol |
| Monoisotopic Mass | 180.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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