| CAS Number | 1368797-26-5 |
| Catalog Number | AG01AP5Y |
| Chemical Name | 2-Bromo-5-(propan-2-yl)-1,3,4-oxadiazole |
| IUPAC Name | 2-bromo-5-propan-2-yl-1,3,4-oxadiazole |
| InChI | InChI=1S/C5H7BrN2O/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3 |
| InChI Key | ARYSOLWNZCESBB-UHFFFAOYSA-N |
| MDL Number | MFCD21881475 |
| Molecular Formula | C5H7BrN2O |
| Molecular Weight | 191.0259 |
| SMILES | CC(C1OC(Br)=NN=1)C |
| Synonyms | 2-bromo-5-(propan-2-yl)-1,3,4-oxadiazole,
1368797-26-5,
ZINC71500904,
|
| Complexity | 99 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.028g/mol |
| Monoisotopic Mass | 189.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number