| CAS Number | 1965304-87-3 |
| Catalog Number | AG01FA5W(AGN-PC-3H49EK) |
| Chemical Name | 2-(4'-Hydroxy-4-biphenyl)-4,5-diphenylthiazole |
| IUPAC Name | 4-[4-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]phenol |
| InChI | InChI=1S/C27H19NOS/c29-24-17-15-20(16-18-24)19-11-13-23(14-12-19)27-28-25(21-7-3-1-4-8-21)26(30-27)22-9-5-2-6-10-22/h1-18,29H |
| InChI Key | VZLBRNASPRXZAW-UHFFFAOYSA-N |
| MDL Number | MFCD28166184 |
| Molecular Formula | C27H19NOS |
| Molecular Weight | 405.5109 |
| SMILES | Oc1ccc(cc1)c1ccc(cc1)c1nc(c(s1)c1ccccc1)c1ccccc1 |
| Synonyms | 2-(4'-Hydroxy-4-biphenyl)-4,5-diphenylthiazole,
1965304-87-3,
ZINC263620197,
|
| Complexity | 513 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.515g/mol |
| Monoisotopic Mass | 405.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number