| CAS Number | 1795494-04-0 |
| Catalog Number | AG01BF8G |
| Chemical Name | 5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine hydrobromide |
| IUPAC Name | 5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine;hydrobromide |
| InChI | InChI=1S/C11H10ClFN2S.BrH/c1-6-10(16-11(14)15-6)4-7-2-3-8(12)5-9(7)13;/h2-3,5H,4H2,1H3,(H2,14,15);1H |
| InChI Key | BGOXKFRACAYFTG-UHFFFAOYSA-N |
| MDL Number | MFCD23949052 |
| Molecular Formula | C11H11BrClFN2S |
| Molecular Weight | 337.6388 |
| SMILES | Br.CC1=C(CC2=C(F)C=C(Cl)C=C2)SC(N)=N1 |
| Synonyms | 5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine hydrobromide,
1795494-04-0,
Z1889902502,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.635g/mol |
| Monoisotopic Mass | 335.95g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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