| CAS Number | 850245-47-5 |
| Catalog Number | AG01A6VZ(AGN-PC-0OJK5W) |
| Chemical Name | 2-(5-Bromo-4-methyl-1,3-thiazol-2-yl)pyridine |
| IUPAC Name | 5-bromo-4-methyl-2-pyridin-2-yl-1,3-thiazole |
| InChI | InChI=1S/C9H7BrN2S/c1-6-8(10)13-9(12-6)7-4-2-3-5-11-7/h2-5H,1H3 |
| InChI Key | YZMFMRJEMAPOCP-UHFFFAOYSA-N |
| MDL Number | MFCD19358900 |
| Molecular Formula | C9H7BrN2S |
| Molecular Weight | 255.1343 |
| SMILES | CC1=C(Br)SC(C2=NC=CC=C2)=N1 |
| Synonyms | 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)pyridine,
850245-47-5,
ZINC57539873,
AKOS022366468,
NE19034,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.133g/mol |
| Monoisotopic Mass | 253.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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