| CAS Number | 1820650-09-6 |
| Catalog Number | AG00I0OW |
| Chemical Name | 2-Chloro-3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]pyridine |
| IUPAC Name | 5-(chloromethyl)-3-(2-chloropyridin-3-yl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H5Cl2N3O/c9-4-6-12-8(13-14-6)5-2-1-3-11-7(5)10/h1-3H,4H2 |
| InChI Key | QEKGZNVVDRVIOF-UHFFFAOYSA-N |
| MDL Number | MFCD27936854 |
| Molecular Formula | C8H5Cl2N3O |
| Molecular Weight | 230.0508 |
| SMILES | ClCc1onc(n1)c1cccnc1Cl |
| Synonyms | 1820650-09-6,
5-(Chloromethyl)-3-(2-chloropyridin-3-yl)-1,2,4-oxadiazole,
2-CHLORO-3-[5-(CHLOROMETHYL)-1,2,4-OXADIAZOL-3-YL]PYRIDINE,
ZINC97756679,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.048g/mol |
| Monoisotopic Mass | 228.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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