| CAS Number | 1823915-67-8 |
| Catalog Number | AG00N2UJ(AGN-PC-3H457E) |
| Chemical Name | 2-Chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine |
| IUPAC Name | 3-(2-chloropyridin-4-yl)-5-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H6ClN3O/c1-5-11-8(12-13-5)6-2-3-10-7(9)4-6/h2-4H,1H3 |
| InChI Key | XZSHBGHYXUBMFX-UHFFFAOYSA-N |
| MDL Number | MFCD27665337 |
| Molecular Formula | C8H6ClN3O |
| Molecular Weight | 195.6057 |
| SMILES | N1C=CC(C2N=C(C)ON=2)=CC=1Cl |
| Synonyms | 2-Chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine,
1823915-67-8,
SCHEMBL16481893,
ZINC96171116,
3-(2-Chloropyridin-4-yl)-5-methyl-1,2,4-oxadiazole,
2-Chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine, AldrichCPR,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.606g/mol |
| Monoisotopic Mass | 195.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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