| CAS Number | 2031258-45-2 |
| Catalog Number | AG01C52C |
| Chemical Name | 3-tert-butyl-4-chloro-1,2-oxazole-5-sulfonyl chloride |
| IUPAC Name | 3-tert-butyl-4-chloro-1,2-oxazole-5-sulfonyl chloride |
| InChI | InChI=1S/C7H9Cl2NO3S/c1-7(2,3)5-4(8)6(13-10-5)14(9,11)12/h1-3H3 |
| InChI Key | HRXDNHGIWZADAH-UHFFFAOYSA-N |
| MDL Number | MFCD30344819 |
| Molecular Formula | C7H9Cl2NO3S |
| Molecular Weight | 258.1223 |
| SMILES | CC(C1C(Cl)=C(S(Cl)(=O)=O)ON=1)(C)C |
| Synonyms | 3-tert-butyl-4-chloro-1,2-oxazole-5-sulfonyl chloride,
2031258-45-2,
ZINC521398904,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.113g/mol |
| Monoisotopic Mass | 256.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number