| CAS Number | 1261938-38-8 |
| Catalog Number | AG009WRE(AGN-PC-0WA7A7) |
| Chemical Name | 3-(3-Chloro-4-methylphenyl)-2-hydroxypyridine |
| IUPAC Name | 3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C12H10ClNO/c1-8-4-5-9(7-11(8)13)10-3-2-6-14-12(10)15/h2-7H,1H3,(H,14,15) |
| InChI Key | JZTQRUFOTYYMTK-UHFFFAOYSA-N |
| MDL Number | MFCD18312198 |
| Molecular Formula | C12H10ClNO |
| Molecular Weight | 219.6669 |
| SMILES | Oc1ncccc1c1ccc(c(c1)Cl)C |
| Synonyms | 3-(3-CHLORO-4-METHYLPHENYL)-2-HYDROXYPYRIDINE,
1261938-38-8,
DTXSID40682844,
MFCD18312198,
ZINC65339240,
AKOS026672626,
Z9175,
3-(3-Chloro-4-methylphenyl)pyridin-2(1H)-one,
C12H10ClNO,
3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.668g/mol |
| Monoisotopic Mass | 219.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number