| CAS Number | 1463535-18-3 |
| Catalog Number | AG01AMSL |
| Chemical Name | 4-Chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C8H9ClN2O3S/c9-6-5(7(12)13)15-8(10-6)11-1-3-14-4-2-11/h1-4H2,(H,12,13) |
| InChI Key | XEVUBSSDXQJFSR-UHFFFAOYSA-N |
| MDL Number | MFCD23719666 |
| Molecular Formula | C8H9ClN2O3S |
| Molecular Weight | 248.6867 |
| SMILES | OC(C1=C(Cl)N=C(N2CCOCC2)S1)=O |
| Synonyms | 4-chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carboxylic acid,
1463535-18-3,
ZINC82261332,
AKOS017454347,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.681g/mol |
| Monoisotopic Mass | 248.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number