| CAS Number | 1784408-02-1 |
| Catalog Number | AG01EHPZ |
| Chemical Name | 5-bromo-3-isopropyl-1,2,4-oxadiazole |
| IUPAC Name | 5-bromo-3-propan-2-yl-1,2,4-oxadiazole |
| InChI | InChI=1S/C5H7BrN2O/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3 |
| InChI Key | YVOKZBVVMODQSX-UHFFFAOYSA-N |
| MDL Number | MFCD26938385 |
| Molecular Formula | C5H7BrN2O |
| Molecular Weight | 191.0259 |
| SMILES | N1=C(Br)ON=C1C(C)C |
| Synonyms | 5-Bromo-3-isopropyl-1,2,4-oxadiazole,
1784408-02-1,
ALBB-032152,
MFCD26938385,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number