| CAS Number | 1579993-83-1 |
| Catalog Number | AG01FAQQ(AGN-PC-3H49GC) |
| Chemical Name | 4-Phenyl-2-(4-(trifluoromethyl)phenyl)thiazole |
| IUPAC Name | 4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole |
| InChI | InChI=1S/C16H10F3NS/c17-16(18,19)13-8-6-12(7-9-13)15-20-14(10-21-15)11-4-2-1-3-5-11/h1-10H |
| InChI Key | HKBDSHASXLWOHI-UHFFFAOYSA-N |
| MDL Number | MFCD22682979 |
| Molecular Formula | C16H10F3NS |
| Molecular Weight | 305.3175 |
| SMILES | FC(c1ccc(cc1)c1scc(n1)c1ccccc1)(F)F |
| Synonyms | 1579993-83-1,
2-(4-Trifluoromethylphenyl)-4-phenylthiazole,
4-Phenyl-2-(4-(trifluoromethyl)phenyl)thiazole,
4-Phenyl-2-[4-(trifluoromethyl)phenyl]thiazole,
MFCD22682979,
ZINC98071636,
2-(4-Trifluoromethylphenyl)-4-phenylthiazole, AldrichCPR,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.318g/mol |
| Monoisotopic Mass | 305.049g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number