| CAS Number | 1249702-53-1 |
| Catalog Number | AG019S3A(AGN-PC-0WO6SN) |
| Chemical Name | 5-(1-Chloroethyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(1-chloroethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C4H5ClN2O/c1-3(5)4-6-2-7-8-4/h2-3H,1H3 |
| InChI Key | VSIPORBCZAHKKW-UHFFFAOYSA-N |
| MDL Number | MFCD14605742 |
| Molecular Formula | C4H5ClN2O |
| Molecular Weight | 132.5483 |
| SMILES | CC(C1ON=CN=1)Cl |
| Synonyms | 5-(1-chloroethyl)-1,2,4-oxadiazole,
1249702-53-1,
AKOS026728308,
NE29534,
EN300-91635,
|
| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.547g/mol |
| Monoisotopic Mass | 132.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number