| CAS Number | 1864015-13-3 |
| Catalog Number | AG01AUL0 |
| Chemical Name | ethyl 2-amino-4-(4-bromophenyl)-1,3-thiazole-5-carboxylate hydrochloride |
| IUPAC Name | ethyl 2-amino-4-(4-bromophenyl)-1,3-thiazole-5-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H11BrN2O2S.ClH/c1-2-17-11(16)10-9(15-12(14)18-10)7-3-5-8(13)6-4-7;/h3-6H,2H2,1H3,(H2,14,15);1H |
| InChI Key | PPMBLWCJIZGRMG-UHFFFAOYSA-N |
| MDL Number | MFCD29041115 |
| Molecular Formula | C12H12BrClN2O2S |
| Molecular Weight | 363.6579 |
| SMILES | Cl.CCOC(C1=C(C2=CC=C(Br)C=C2)N=C(N)S1)=O |
| Synonyms | ethyl 2-amino-4-(4-bromophenyl)-1,3-thiazole-5-carboxylate hydrochloride,
1864015-13-3,
Z2235681441,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.654g/mol |
| Monoisotopic Mass | 361.949g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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