| CAS Number | 1368687-66-4 |
| Catalog Number | AG01BTQY |
| Chemical Name | 2-chloro-5-(propan-2-yl)-1,3,4-oxadiazole |
| IUPAC Name | 2-chloro-5-propan-2-yl-1,3,4-oxadiazole |
| InChI | InChI=1S/C5H7ClN2O/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3 |
| InChI Key | NJQDEQNMPBIPEW-UHFFFAOYSA-N |
| MDL Number | MFCD21880098 |
| Molecular Formula | C5H7ClN2O |
| Molecular Weight | 146.5749 |
| SMILES | CC(C1OC(Cl)=NN=1)C |
| Synonyms | 2-CHLORO-5-ISOPROPYL-1,3,4-OXADIAZOLE,
1368687-66-4,
ZINC71495354,
AKOS022535254,
2-chloro-5-(propan-2-yl)-1,3,4-oxadiazole,
|
| Complexity | 99 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.574g/mol |
| Monoisotopic Mass | 146.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number