| CAS Number | 1183201-85-5 |
| Catalog Number | AG019SJ7(AGN-PC-0WO9Q7) |
| Chemical Name | 2-(4-bromo-1H-pyrazol-1-yl)-1,3-thiazole |
| IUPAC Name | 2-(4-bromopyrazol-1-yl)-1,3-thiazole |
| InChI | InChI=1S/C6H4BrN3S/c7-5-3-9-10(4-5)6-8-1-2-11-6/h1-4H |
| InChI Key | QNSYQSPKBSGFIM-UHFFFAOYSA-N |
| MDL Number | MFCD12780081 |
| Molecular Formula | C6H4BrN3S |
| Molecular Weight | 230.0851 |
| SMILES | BrC1=CN(C2SC=CN=2)N=C1 |
| Synonyms | 2-(4-bromo-1H-pyrazol-1-yl)-1,3-thiazole,
1183201-85-5,
ZINC38074905,
AKOS010257757,
NE38806,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.083g/mol |
| Monoisotopic Mass | 228.931g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number