| CAS Number | 55809-27-3 |
| Catalog Number | AG00DAVX(AGN-PC-05BJ9S) |
| Chemical Name | N-(5-tert-butyl-3-isoxazolyl)-2-chloroacetamide |
| IUPAC Name | N-(5-tert-butyl-1,2-oxazol-3-yl)-2-chloroacetamide |
| InChI | InChI=1S/C9H13ClN2O2/c1-9(2,3)6-4-7(12-14-6)11-8(13)5-10/h4H,5H2,1-3H3,(H,11,12,13) |
| InChI Key | MZAGTAPJCLVZHA-UHFFFAOYSA-N |
| MDL Number | MFCD08691901 |
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.6647 |
| SMILES | O=C(NC1=NOC(C(C)(C)C)=C1)CCl |
| Synonyms | 55809-27-3,
N-(5-TERT-BUTYL-3-ISOXAZOLYL)-2-CHLOROACETAMIDE,
N-(5-(tert-Butyl)isoxazol-3-yl)-2-chloroacetamide,
N-(5-tert-Butyl-1,2-oxazol-3-yl)-2-chloroacetamide,
SCHEMBL4451956,
CTK5A4223,
DTXSID60651097,
MZAGTAPJCLVZHA-UHFFFAOYSA-N,
CHEMBRDG-BB 9070740,
ZX-CM017945,
FCH932932,
MFCD08691901,
ZINC19094178,
AKOS006342345,
AJ-72355,
FT-0707935,
Y-4539,
N-(5-t-Butyl-3-isoxazolyl)-2-chloro-acetamide,
N-(5-tert-butylisoxazol-3-yl)-2-chloroacetamide,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.665g/mol |
| Monoisotopic Mass | 216.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number