| CAS Number | 1803589-09-4 |
| Catalog Number | AG01B87U |
| Chemical Name | 2-[2-(morpholin-4-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid hydrobromide |
| IUPAC Name | 2-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)acetic acid;hydrobromide |
| InChI | InChI=1S/C15H16N2O3S.BrH/c18-13(19)10-12-14(11-4-2-1-3-5-11)16-15(21-12)17-6-8-20-9-7-17;/h1-5H,6-10H2,(H,18,19);1H |
| InChI Key | OQFLHYGSWAZHQJ-UHFFFAOYSA-N |
| MDL Number | MFCD28246429 |
| Molecular Formula | C15H17BrN2O3S |
| Molecular Weight | 385.2761 |
| SMILES | Br.OC(CC1=C(C2=CC=CC=C2)N=C(N2CCOCC2)S1)=O |
| Synonyms | 2-[2-(morpholin-4-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid hydrobromide,
1803589-09-4,
Z1989437304,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.276g/mol |
| Monoisotopic Mass | 384.014g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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