| CAS Number | 1421263-30-0 |
| Catalog Number | AG01F744(AGN-PC-3H496H) |
| Chemical Name | 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)phenol |
| IUPAC Name | 4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenol |
| InChI | InChI=1S/C16H10F3NOS/c17-16(18,19)12-5-1-11(2-6-12)15-20-14(9-22-15)10-3-7-13(21)8-4-10/h1-9,21H |
| InChI Key | LUOYHEITKBXVME-UHFFFAOYSA-N |
| MDL Number | MFCD22683009 |
| Molecular Formula | C16H10F3NOS |
| Molecular Weight | 321.3169 |
| SMILES | Oc1ccc(cc1)c1csc(n1)c1ccc(cc1)C(F)(F)F |
| Synonyms | 1421263-30-0,
4-(4-Hydroxyphenyl)-2-[4-(trifluoromethyl)phenyl]-thiazole,
4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)phenol,
MFCD22683009,
ZINC84847140,
AKOS027444754,
4-(4-Hydroxyphenyl)-2-[4-(trifluoromethyl)phenyl]thiazole,
4-(4-Hydroxyphenyl)-2-[4-(trifluoromethyl)phenyl]-thiazole, AldrichCPR,
|
| Complexity | 363 |
| 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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