| CAS Number | 1256643-25-0 |
| Catalog Number | AG009DRX(AGN-PC-0WB5WH) |
| Chemical Name | 3-Bromo-5-ethyl-1,2,4-oxadiazole |
| IUPAC Name | 3-bromo-5-ethyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C4H5BrN2O/c1-2-3-6-4(5)7-8-3/h2H2,1H3 |
| InChI Key | WBNVODTUMQHJMO-UHFFFAOYSA-N |
| MDL Number | MFCD18381922 |
| Molecular Formula | C4H5BrN2O |
| Molecular Weight | 176.9993 |
| SMILES | BrC1=NOC(=N1)CC |
| Synonyms | 3-Bromo-5-ethyl-1,2,4-oxadiazole,
1256643-25-0,
MFCD18381922,
ZINC54957025,
AKOS006317481,
AJ-112444,
3-bromo-5-ethyl-1,2,4-oxadiazole(SALTDATA,
Y-7891,
|
| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.001g/mol |
| Monoisotopic Mass | 175.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number