| CAS Number | 1146289-86-2 |
| Catalog Number | AG019US3(AGN-PC-0WO0SJ) |
| Chemical Name | 2-Chloro-4-(1,3,4-oxadiazol-2-yl)pyridine |
| IUPAC Name | 2-(2-chloropyridin-4-yl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C7H4ClN3O/c8-6-3-5(1-2-9-6)7-11-10-4-12-7/h1-4H |
| InChI Key | IOYOHFAUCKLGDE-UHFFFAOYSA-N |
| MDL Number | MFCD11857934 |
| Molecular Formula | C7H4ClN3O |
| Molecular Weight | 181.5792 |
| SMILES | ClC1=NC=CC(C2OC=NN=2)=C1 |
| Synonyms | 2-chloro-4-(1,3,4-oxadiazol-2-yl)pyridine,
1146289-86-2,
2-(2-chloropyridin-4-yl)-1,3,4-oxadiazole,
AC1Q3KU1,
CTK6H4175,
ODZ101324,
ZINC32628382,
AKOS026726320,
MCULE-9259566161,
NE21655,
EN300-42658,
|
| 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 | 1.3 |
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Certificate of Analysis
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