| CAS Number | 951123-18-5 |
| Catalog Number | AG00IIR0(AGN-PC-0WG3WA) |
| Chemical Name | 5-(Chloromethyl)-3-(thiazol-2-yl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-(1,3-thiazol-2-yl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C6H4ClN3OS/c7-3-4-9-5(10-11-4)6-8-1-2-12-6/h1-2H,3H2 |
| InChI Key | UYAILRZXWIGDFN-UHFFFAOYSA-N |
| MDL Number | MFCD28390312 |
| Molecular Formula | C6H4ClN3OS |
| Molecular Weight | 201.6335 |
| SMILES | ClCc1onc(n1)c1nccs1 |
| Synonyms | 5-(Chloromethyl)-3-(thiazol-2-yl)-1,2,4-oxadiazole,
951123-18-5,
SCHEMBL202197,
UYAILRZXWIGDFN-UHFFFAOYSA-N,
5-(chloromethyl)-3-(1,3-thiazol-2-yl)-1,2,4-oxadiazole,
MFCD28390312,
ZINC96032027,
CS-0036155,
5-Chloromethyl-3-thiazol-2-yl-[1,2,4]oxadiazole,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.628g/mol |
| Monoisotopic Mass | 200.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number