| CAS Number | 1262006-39-2 |
| Catalog Number | AG009X0J(AGN-PC-0WAARX) |
| Chemical Name | 5-(4-Chloro-3-methylphenyl)-6-hydroxynicotinic acid |
| IUPAC Name | 5-(4-chloro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H10ClNO3/c1-7-4-8(2-3-11(7)14)10-5-9(13(17)18)6-15-12(10)16/h2-6H,1H3,(H,15,16)(H,17,18) |
| InChI Key | BRSMQFRXIYQEJK-UHFFFAOYSA-N |
| MDL Number | MFCD18317651 |
| Molecular Formula | C13H10ClNO3 |
| Molecular Weight | 263.6764 |
| SMILES | OC(=O)c1cnc(c(c1)c1ccc(c(c1)C)Cl)O |
| Synonyms | 5-(4-CHLORO-3-METHYLPHENYL)-6-HYDROXYNICOTINIC ACID,
1262006-39-2,
DTXSID50687663,
MFCD18317651,
ZINC65348095,
Z9306,
5-(4-Chloro-3-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
C13H10ClNO3,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.677g/mol |
| Monoisotopic Mass | 263.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number