| CAS Number | 1262010-75-2 |
| Catalog Number | AG009X0N(AGN-PC-0WAARZ) |
| Chemical Name | 5-(4-Chlorophenyl)-6-hydroxynicotinic acid |
| IUPAC Name | 5-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO3/c13-9-3-1-7(2-4-9)10-5-8(12(16)17)6-14-11(10)15/h1-6H,(H,14,15)(H,16,17) |
| InChI Key | ANDWTEUTDIJBOP-UHFFFAOYSA-N |
| MDL Number | MFCD18317182 |
| Molecular Formula | C12H8ClNO3 |
| Molecular Weight | 249.6498 |
| SMILES | Clc1ccc(cc1)c1cc(cnc1O)C(=O)O |
| Synonyms | 5-(4-CHLOROPHENYL)-6-HYDROXYNICOTINIC ACID,
1262010-75-2,
DTXSID90687309,
MFCD18317182,
ZINC65347572,
Z9310,
5-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
C12H8ClNO3,
5-(4-chlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid,
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| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.65g/mol |
| Monoisotopic Mass | 249.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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