| CAS Number | 1965304-95-3 |
| Catalog Number | AG01FAH2(AGN-PC-3H49FH) |
| Chemical Name | 2-(3-Nitrophenyl)-4-(4-hydroxyphenyl)thiazole |
| IUPAC Name | 4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenol |
| InChI | InChI=1S/C15H10N2O3S/c18-13-6-4-10(5-7-13)14-9-21-15(16-14)11-2-1-3-12(8-11)17(19)20/h1-9,18H |
| InChI Key | STIIQKFTRPHJHI-UHFFFAOYSA-N |
| MDL Number | MFCD28166227 |
| Molecular Formula | C15H10N2O3S |
| Molecular Weight | 298.3165 |
| SMILES | Oc1ccc(cc1)c1csc(n1)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | 2-(3-Nitrophenyl)-4-(4-hydroxyphenyl)thiazole,
1965304-95-3,
ZINC219039860,
2-(3-Nitrophenyl)-4-(4-hydroxyphenyl)thiazole, AldrichCPR,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.316g/mol |
| Monoisotopic Mass | 298.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number