| CAS Number | 1936392-58-3 |
| Catalog Number | AG01DJQM |
| Chemical Name | 4-(5-(Chloromethyl)-1,2,4-oxadiazol-3-yl)pyridine 1-oxide |
| IUPAC Name | 5-(chloromethyl)-3-(1-oxidopyridin-1-ium-4-yl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H6ClN3O2/c9-5-7-10-8(11-14-7)6-1-3-12(13)4-2-6/h1-4H,5H2 |
| InChI Key | KXAMYYKRSFDXRI-UHFFFAOYSA-N |
| MDL Number | MFCD28991742 |
| Molecular Formula | C8H6ClN3O2 |
| Molecular Weight | 211.6051 |
| SMILES | ClCc1onc(n1)c1cc[n+](cc1)[O-] |
| Synonyms | 1936392-58-3,
4-(5-(Chloromethyl)-1,2,4-oxadiazol-3-yl)pyridine 1-oxide,
4-(5-CHLOROMETHYL-[1,2,4]OXADIAZOL-3-YL)-PYRIDINE 1-OXIDE,
MFCD28991742,
ZINC96032031,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.605g/mol |
| Monoisotopic Mass | 211.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number