| CAS Number | 1782805-91-7 |
| Catalog Number | AG01EHDE |
| Chemical Name | 4-bromo-2-chloro-5-methyl-1,3-thiazole |
| IUPAC Name | 4-bromo-2-chloro-5-methyl-1,3-thiazole |
| InChI | InChI=1S/C4H3BrClNS/c1-2-3(5)7-4(6)8-2/h1H3 |
| InChI Key | DSKUKMXPAFPPJI-UHFFFAOYSA-N |
| MDL Number | MFCD31653891 |
| Molecular Formula | C4H3BrClNS |
| Molecular Weight | 212.4953 |
| SMILES | CC1=C(Br)N=C(Cl)S1 |
| Synonyms | 4-Bromo-2-chloro-5-methyl-1,3-thiazole,
1782805-91-7,
SCHEMBL17873460,
AKOS024084013,
|
| Complexity | 92.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.886g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.489g/mol |
| Monoisotopic Mass | 210.886g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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