| CAS Number | 1248308-40-8 |
| Catalog Number | AG01DYKT |
| Chemical Name | 2-(Chloromethyl)-5-(methoxymethyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(chloromethyl)-5-(methoxymethyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C5H7ClN2O2/c1-9-3-5-8-7-4(2-6)10-5/h2-3H2,1H3 |
| InChI Key | ZFTOBXGJXIVYPM-UHFFFAOYSA-N |
| MDL Number | MFCD09051816 |
| Molecular Formula | C5H7ClN2O2 |
| Molecular Weight | 162.5743 |
| SMILES | COCC1OC(CCl)=NN=1 |
| Synonyms | 2-(chloromethyl)-5-(methoxymethyl)-1,3,4-oxadiazole,
1248308-40-8,
SCHEMBL2044974,
ZINC40432174,
AKOS009165093,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.573g/mol |
| Monoisotopic Mass | 162.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number