| CAS Number | 1421263-04-8 |
| Catalog Number | AG01F91P(AGN-PC-3H49BH) |
| Chemical Name | 4-(2-(3,4-Difluorophenyl)thiazol-4-yl)phenol |
| IUPAC Name | 4-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]phenol |
| InChI | InChI=1S/C15H9F2NOS/c16-12-6-3-10(7-13(12)17)15-18-14(8-20-15)9-1-4-11(19)5-2-9/h1-8,19H |
| InChI Key | FVHNOKTWTORAOX-UHFFFAOYSA-N |
| MDL Number | MFCD22682969 |
| Molecular Formula | C15H9F2NOS |
| Molecular Weight | 289.2999 |
| SMILES | Oc1ccc(cc1)c1csc(n1)c1ccc(c(c1)F)F |
| Synonyms | 1421263-04-8,
2-(3,4-Difluorophenyl)-4-(4-hydroxyphenyl)thiazole,
4-(2-(3,4-Difluorophenyl)thiazol-4-yl)phenol,
MFCD22682969,
ZINC84847024,
2-(3,4-Difluorophenyl)-4-(4-hydroxyphenyl)-thiazole, AldrichCPR,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.3g/mol |
| Monoisotopic Mass | 289.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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