| CAS Number | 1111109-87-5 |
| Catalog Number | AG00HBY5(AGN-PC-0WQYGU) |
| Chemical Name | 5-(3-Fluoro-4-hydroxyphenyl)-2-hydroxypyridine |
| IUPAC Name | 5-(3-fluoro-4-hydroxyphenyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C11H8FNO2/c12-9-5-7(1-3-10(9)14)8-2-4-11(15)13-6-8/h1-6,14H,(H,13,15) |
| InChI Key | XJGPRBFTGJWEOT-UHFFFAOYSA-N |
| MDL Number | MFCD11876545 |
| Molecular Formula | C11H8FNO2 |
| Molecular Weight | 205.1851 |
| SMILES | O=c1ccc(c[nH]1)c1ccc(c(c1)F)O |
| Synonyms | 1111109-87-5,
5-(3-FLUORO-4-HYDROXYPHENYL)-2-HYDROXYPYRIDINE,
5-(3-Fluoro-4-hydroxyphenyl)pyridin-2(1H)-one,
DTXSID10682659,
MFCD11876545,
ZINC65337827,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.188g/mol |
| Monoisotopic Mass | 205.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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