| CAS Number | 2094829-99-7 |
| Catalog Number | AG01E86H |
| Chemical Name | 2-(1H-imidazol-2-yl)-1,3-thiazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 2-(1H-imidazol-2-yl)-1,3-thiazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H5N3O2S.ClH/c11-7(12)4-3-13-6(10-4)5-8-1-2-9-5;/h1-3H,(H,8,9)(H,11,12);1H |
| InChI Key | ZAAKOJHBYRMGTK-UHFFFAOYSA-N |
| MDL Number | MFCD30734126 |
| Molecular Formula | C7H6ClN3O2S |
| Molecular Weight | 231.6594 |
| SMILES | Cl.OC(C1N=C(C2NC=CN=2)SC=1)=O |
| Synonyms | 2-(1H-imidazol-2-yl)-1,3-thiazole-4-carboxylic acid hydrochloride,
Z2805897372,
2094829-99-7,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.654g/mol |
| Monoisotopic Mass | 230.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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