| CAS Number | 1284363-17-2 |
| Catalog Number | AG00HRT2(AGN-PC-0WNQ1U) |
| Chemical Name | Methyl 2-amino-4-(4-bromophenyl)-1,3-thiazole-5-carboxylate |
| IUPAC Name | methyl 2-amino-4-(4-bromophenyl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C11H9BrN2O2S/c1-16-10(15)9-8(14-11(13)17-9)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14) |
| InChI Key | DUXXDFXQLKZPAC-UHFFFAOYSA-N |
| MDL Number | MFCD28101639 |
| Molecular Formula | C11H9BrN2O2S |
| Molecular Weight | 313.1704 |
| SMILES | COC(C1=C(C2=CC=C(Br)C=C2)N=C(N)S1)=O |
| Synonyms | Methyl 2-amino-4-(4-bromophenyl)-1,3-thiazole-5-carboxylate,
1284363-17-2,
ZINC57657816,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.169g/mol |
| Monoisotopic Mass | 311.957g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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