| CAS Number | 1256643-47-6 |
| Catalog Number | AG009DY2(AGN-PC-0WB5WN) |
| Chemical Name | 3-chloro-5-ethyl-1,2,4-oxadiazole |
| IUPAC Name | 3-chloro-5-ethyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C4H5ClN2O/c1-2-3-6-4(5)7-8-3/h2H2,1H3 |
| InChI Key | CMQGIGNDLDNZQM-UHFFFAOYSA-N |
| MDL Number | MFCD18381923 |
| Molecular Formula | C4H5ClN2O |
| Molecular Weight | 132.5483 |
| SMILES | N1=C(CC)ON=C1Cl |
| Synonyms | 3-Chloro-5-ethyl-1,2,4-oxadiazole,
1256643-47-6,
MFCD18381923,
ZINC54957027,
AKOS006317482,
AJ-112445,
3-chloro-5-ethyl-1,2,4-oxadiazole(SALTDATA,
Y-7892,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number