| CAS Number | 1268334-96-8 |
| Catalog Number | AG00J2H1(AGN-PC-0WB5WX) |
| Chemical Name | 2-Chloro-4-(1,2,4-oxadiazol-3-yl)pyridine |
| IUPAC Name | 3-(2-chloropyridin-4-yl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C7H4ClN3O/c8-6-3-5(1-2-9-6)7-10-4-12-11-7/h1-4H |
| InChI Key | CEXOKGILJXKETA-UHFFFAOYSA-N |
| MDL Number | MFCD18447667 |
| Molecular Formula | C7H4ClN3O |
| Molecular Weight | 181.5792 |
| SMILES | C1(C2C=CN=C(Cl)C=2)=NOC=N1 |
| Synonyms | 2-chloro-4-(1,2,4-oxadiazol-3-yl)pyridine,
1268334-96-8,
ZX-CM009611,
FCH898628,
MFCD18447667,
ZINC59270608,
AKOS006315583,
3-(2-chloropyridin-4-yl)-1,2,4-oxadiazole,
3-(2-Chloro-4-pyridinyl)-1,2,4-oxadiazole,
Y-7940,
F2147-6859,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.579g/mol |
| Monoisotopic Mass | 181.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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