| CAS Number | 923694-00-2 |
| Catalog Number | AG019KBV |
| Chemical Name | 3-[5-(1-Chloroethyl)-1,2,4-oxadiazol-3-yl]pyridine |
| IUPAC Name | 5-(1-chloroethyl)-3-pyridin-3-yl-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H8ClN3O/c1-6(10)9-12-8(13-14-9)7-3-2-4-11-5-7/h2-6H,1H3 |
| InChI Key | WLYCMJSCVOQDLT-UHFFFAOYSA-N |
| MDL Number | MFCD08691287 |
| Molecular Formula | C9H8ClN3O |
| Molecular Weight | 209.6323 |
| SMILES | CC(C1ON=C(C2=CN=CC=C2)N=1)Cl |
| Synonyms | 3-[5-(1-chloroethyl)-1,2,4-oxadiazol-3-yl]pyridine,
923694-00-2,
AC1Q2AZY,
CTK6A6216,
AKOS009107104,
NE14007,
EN300-26322,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.633g/mol |
| Monoisotopic Mass | 209.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number