| CAS Number | 1421262-85-2 |
| Catalog Number | AG01F9JN(AGN-PC-3H49CN) |
| Chemical Name | 4-(4-Bromophenyl)-2-(3,4-difluorophenyl)thiazole |
| IUPAC Name | 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole |
| InChI | InChI=1S/C15H8BrF2NS/c16-11-4-1-9(2-5-11)14-8-20-15(19-14)10-3-6-12(17)13(18)7-10/h1-8H |
| InChI Key | MQRBSGAEAXGOMJ-UHFFFAOYSA-N |
| MDL Number | MFCD22682960 |
| Molecular Formula | C15H8BrF2NS |
| Molecular Weight | 352.1965 |
| SMILES | Brc1ccc(cc1)c1csc(n1)c1ccc(c(c1)F)F |
| Synonyms | 4-(4-Bromophenyl)-2-(3,4-difluorophenyl)thiazole,
1421262-85-2,
MFCD22682960,
ZINC84847003,
AKOS018398580,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.197g/mol |
| Monoisotopic Mass | 350.953g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
Lot Number