| CAS Number | 1284635-72-8 |
| Catalog Number | AG019ZJ4 |
| Chemical Name | 1-(3-Chlorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-(3-chlorophenyl)-6-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO3/c13-9-2-1-3-10(6-9)14-7-8(12(16)17)4-5-11(14)15/h1-7H,(H,16,17) |
| InChI Key | PJFMCUUQPDTFCH-UHFFFAOYSA-N |
| MDL Number | MFCD16519149 |
| Molecular Formula | C12H8ClNO3 |
| Molecular Weight | 249.6498 |
| SMILES | OC(C1=CN(C2=CC(Cl)=CC=C2)C(=O)C=C1)=O |
| Synonyms | 1-(3-chlorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
1284635-72-8,
SCHEMBL16672424,
ZINC43671740,
AKOS010995625,
|
| Complexity | 403 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.65g/mol |
| Monoisotopic Mass | 249.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number