| CAS Number | 1000575-16-5 |
| Catalog Number | AG01FA7A(AGN-PC-3H49EP) |
| Chemical Name | Methyl 4-Bromo-2-chlorothiazole-5-carboxylate |
| IUPAC Name | methyl 4-bromo-2-chloro-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C5H3BrClNO2S/c1-10-4(9)2-3(6)8-5(7)11-2/h1H3 |
| InChI Key | IIJWBQWNNFDNAV-UHFFFAOYSA-N |
| MDL Number | MFCD09878034 |
| Molecular Formula | C5H3BrClNO2S |
| Molecular Weight | 256.5048 |
| SMILES | COC(=O)c1sc(nc1Br)Cl |
| Synonyms | Methyl 4-Bromo-2-chlorothiazole-5-carboxylate,
1000575-16-5,
CTK6J1481,
MFCD09878034,
ZINC15444338,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.498g/mol |
| Monoisotopic Mass | 254.876g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number