| CAS Number | 1156949-76-6 |
| Catalog Number | AG01C51H |
| Chemical Name | 5-(3-chloropropyl)-3-methyl-1,2,4-oxadiazole |
| IUPAC Name | 5-(3-chloropropyl)-3-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C6H9ClN2O/c1-5-8-6(10-9-5)3-2-4-7/h2-4H2,1H3 |
| InChI Key | MSCDMPDSOLPNSJ-UHFFFAOYSA-N |
| MDL Number | MFCD12188500 |
| Molecular Formula | C6H9ClN2O |
| Molecular Weight | 160.6015 |
| SMILES | CC1N=C(CCCCl)ON=1 |
| Synonyms | 5-(3-chloropropyl)-3-methyl-1,2,4-oxadiazole,
1156949-76-6,
ZINC35658748,
AKOS009547261,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.601g/mol |
| Monoisotopic Mass | 160.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number