| CAS Number | 1935226-90-6 |
| Catalog Number | AG01DKES |
| Chemical Name | 5-(Chloromethyl)-3-(3-chloropyridin-4-yl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-(3-chloropyridin-4-yl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H5Cl2N3O/c9-3-7-12-8(13-14-7)5-1-2-11-4-6(5)10/h1-2,4H,3H2 |
| InChI Key | GGMVRJHKPGESDF-UHFFFAOYSA-N |
| MDL Number | MFCD28991740 |
| Molecular Formula | C8H5Cl2N3O |
| Molecular Weight | 230.0508 |
| SMILES | ClCc1onc(n1)c1ccncc1Cl |
| Synonyms | 5-(Chloromethyl)-3-(3-chloropyridin-4-yl)-1,2,4-oxadiazole,
1935226-90-6,
MFCD28991740,
ZINC96032029,
|
| 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 | 1.8 |
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Certificate of Analysis
Lot Number