| CAS Number | 2138517-32-3 |
| Catalog Number | AG01DSTH |
| Chemical Name | sodium 5-bromo-4-methyl-1,3-thiazole-2-carboxylate |
| IUPAC Name | sodium;5-bromo-4-methyl-1,3-thiazole-2-carboxylate |
| InChI | InChI=1S/C5H4BrNO2S.Na/c1-2-3(6)10-4(7-2)5(8)9;/h1H3,(H,8,9);/q;+1/p-1 |
| InChI Key | QUSVPKAEQIOZIE-UHFFFAOYSA-M |
| MDL Number | MFCD31558644 |
| Molecular Formula | C5H3BrNNaO2S |
| Molecular Weight | 244.0416 |
| SMILES | [Na+].CC1=C(Br)SC(C([O-])=O)=N1 |
| Synonyms | sodium 5-bromo-4-methyl-1,3-thiazole-2-carboxylate,
2138517-32-3,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.038g/mol |
| Monoisotopic Mass | 242.897g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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