| CAS Number | 1178318-62-1 |
| Catalog Number | AG01AHBS(AGN-PC-0WO70L) |
| Chemical Name | 2-(Chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole |
| IUPAC Name | 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole |
| InChI | InChI=1S/C7H9ClN2O/c8-4-6-9-10-7(11-6)5-2-1-3-5/h5H,1-4H2 |
| InChI Key | LZCRVMSETJTUOP-UHFFFAOYSA-N |
| MDL Number | MFCD09051884 |
| Molecular Formula | C7H9ClN2O |
| Molecular Weight | 172.6122 |
| SMILES | ClCC1OC(C2CCC2)=NN=1 |
| Synonyms | 2-(chloromethyl)-5-cyclobutyl-1,3,4-oxadiazole,
1178318-62-1,
SCHEMBL17582357,
LZCRVMSETJTUOP-UHFFFAOYSA-N,
ZINC37510702,
AKOS009163634,
NE62457,
EN300-74269,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.612g/mol |
| Monoisotopic Mass | 172.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number