| CAS Number | 1421263-68-4 |
| Catalog Number | AG01F745(AGN-PC-3H496I) |
| Chemical Name | 4-(2-Hydroxyphenyl)-2-[4-(trifluoromethyl)phenyl]-thiazole |
| IUPAC Name | 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenol |
| InChI | InChI=1S/C16H10F3NOS/c17-16(18,19)11-7-5-10(6-8-11)15-20-13(9-22-15)12-3-1-2-4-14(12)21/h1-9,21H |
| InChI Key | UEKWNZRWDWWYNF-UHFFFAOYSA-N |
| MDL Number | MFCD22683004 |
| Molecular Formula | C16H10F3NOS |
| Molecular Weight | 321.3169 |
| SMILES | Oc1ccccc1c1csc(n1)c1ccc(cc1)C(F)(F)F |
| Synonyms | 1421263-68-4,
4-(2-Hydroxyphenyl)-2-[4-(trifluoromethyl)phenyl]-thiazole,
MFCD22683004,
ZINC84847112,
4-(2-Hydroxyphenyl)-2-[4-(trifluoromethyl)phenyl]thiazole,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.317g/mol |
| Monoisotopic Mass | 321.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
Lot Number