| CAS Number | 1421263-56-0 |
| Catalog Number | AG01F9UM(AGN-PC-3H49F7) |
| Chemical Name | 4-(4'-Bromo-4-biphenylyl)-2-(3-pyridyl)thiazole |
| IUPAC Name | 4-[4-(4-bromophenyl)phenyl]-2-pyridin-3-yl-1,3-thiazole |
| InChI | InChI=1S/C20H13BrN2S/c21-18-9-7-15(8-10-18)14-3-5-16(6-4-14)19-13-24-20(23-19)17-2-1-11-22-12-17/h1-13H |
| InChI Key | JDYTUPYDVRWTAD-UHFFFAOYSA-N |
| MDL Number | MFCD22683030 |
| Molecular Formula | C20H13BrN2S |
| Molecular Weight | 393.2996 |
| SMILES | Brc1ccc(cc1)c1ccc(cc1)c1csc(n1)c1cccnc1 |
| Synonyms | 1421263-56-0,
4-(4'-Bromo-4-biphenylyl)-2-(3-pyridyl)thiazole,
4-(4'-Bromo-[1,1'-biphenyl]-4-yl)-2-(pyridin-3-yl)thiazole,
MFCD22683030,
ZINC84847199,
AKOS027444755,
4-(4'-Bromo-4-biphenyl)-2-(3-pyridyl)thiazole, AldrichCPR,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 391.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.302g/mol |
| Monoisotopic Mass | 391.998g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
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Certificate of Analysis
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