| CAS Number | 1518549-00-2 |
| Catalog Number | AG01FBPC(AGN-PC-3H49JO) |
| Chemical Name | 4-(2-(Pyridin-4-yl)thiazol-4-yl)phenol |
| IUPAC Name | 4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenol |
| InChI | InChI=1S/C14H10N2OS/c17-12-3-1-10(2-4-12)13-9-18-14(16-13)11-5-7-15-8-6-11/h1-9,17H |
| InChI Key | LQSIFOZCGFIBRI-UHFFFAOYSA-N |
| MDL Number | MFCD28166228 |
| Molecular Formula | C14H10N2OS |
| Molecular Weight | 254.3070 |
| SMILES | S1C=C(C2C=CC(O)=CC=2)N=C1C1C=CN=CC=1 |
| Synonyms | 1518549-00-2,
2-(4-Pyridyl)-4-(4-hydroxyphenyl)thiazole,
4-(2-(Pyridin-4-yl)thiazol-4-yl)phenol,
ZINC84896652,
AKOS023532434,
2-(4-Pyridyl)-4-(4-hydroxyphenyl)thiazole, AldrichCPR,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.307g/mol |
| Monoisotopic Mass | 254.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number