| CAS Number | 960053-90-1 |
| Catalog Number | AG00J27S(AGN-PC-0WAK6R) |
| Chemical Name | 5-bromo-3-methyl-1,2,4-oxadiazole |
| IUPAC Name | 5-bromo-3-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C3H3BrN2O/c1-2-5-3(4)7-6-2/h1H3 |
| InChI Key | YLNKLCHIQZCUCV-UHFFFAOYSA-N |
| MDL Number | MFCD26938058 |
| Molecular Formula | C3H3BrN2O |
| Molecular Weight | 162.9727 |
| SMILES | BrC1=NC(=NO1)C |
| Synonyms | 5-Bromo-3-methyl-1,2,4-oxadiazole,
960053-90-1,
ALBB-030720,
MFCD26938058,
AKOS023832580,
ZINC214906523,
CS-0085086,
|
| Complexity | 70 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.974g/mol |
| Monoisotopic Mass | 161.943g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number