| CAS Number | 2060005-30-1 |
| Catalog Number | AG01BVH4 |
| Chemical Name | 3-(2-bromoethyl)-5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-one |
| IUPAC Name | 3-(2-bromoethyl)-5-methyl-1,3,4-oxadiazol-2-one |
| InChI | InChI=1S/C5H7BrN2O2/c1-4-7-8(3-2-6)5(9)10-4/h2-3H2,1H3 |
| InChI Key | IBFXHRUCSYVTAU-UHFFFAOYSA-N |
| MDL Number | MFCD30476408 |
| Molecular Formula | C5H7BrN2O2 |
| Molecular Weight | 207.0253 |
| SMILES | CC1OC(=O)N(CCBr)N=1 |
| Synonyms | 3-(2-bromoethyl)-5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-one,
2060005-30-1,
ZINC521399704,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.027g/mol |
| Monoisotopic Mass | 205.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number