| CAS Number | 1373223-09-6 |
| Catalog Number | AG009JXY(AGN-PC-0WNWAM) |
| Chemical Name | Carbamic acid, N-(4-chloro-2-thiazolyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate |
| InChI | InChI=1S/C8H11ClN2O2S/c1-8(2,3)13-7(12)11-6-10-5(9)4-14-6/h4H,1-3H3,(H,10,11,12) |
| InChI Key | RRRSEOPYCBAJKC-UHFFFAOYSA-N |
| MDL Number | MFCD22201202 |
| Molecular Formula | C8H11ClN2O2S |
| Molecular Weight | 234.7031 |
| SMILES | CC(C)(C)OC(=O)Nc1nc(cs1)Cl |
| Synonyms | 1373223-09-6,
tert-butyl 4-chlorothiazol-2-ylcarbamate,
(4-Chloro-thiazol-2-yl)-carbamic acid tert-butyl ester,
tert-butyl (4-chlorothiazol-2-yl)carbamate,
tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate,
8771AH,
MFCD22201202,
ZINC95635207,
AS-47568,
Z-6800,
C8H11ClN2O2S,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.698g/mol |
| Monoisotopic Mass | 234.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number