| CAS Number | 1965304-99-7 |
| Catalog Number | AG01FCGD(AGN-PC-3H49LP) |
| Chemical Name | 2-(3-Tolyl)-4-(2-hydroxyphenyl)thiazole |
| IUPAC Name | 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]phenol |
| InChI | InChI=1S/C16H13NOS/c1-11-5-4-6-12(9-11)16-17-14(10-19-16)13-7-2-3-8-15(13)18/h2-10,18H,1H3 |
| InChI Key | LJTHOBLJBTWNLF-UHFFFAOYSA-N |
| MDL Number | MFCD28166217 |
| Molecular Formula | C16H13NOS |
| Molecular Weight | 267.3455 |
| SMILES | Cc1cccc(c1)c1scc(n1)c1ccccc1O |
| Synonyms | 2-(3-Tolyl)-4-(2-hydroxyphenyl)thiazole,
1965304-99-7,
ZINC219039164,
2-(3-Tolyl)-4-(2-hydroxyphenyl)thiazole, AldrichCPR,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.346g/mol |
| Monoisotopic Mass | 267.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number