| CAS Number | 1415226-40-2 |
| Catalog Number | AG01FSK4(AGN-PC-3H6078) |
| Chemical Name | 5-(3-Chlorophenyl)-3-hydroxypicolinic acid |
| IUPAC Name | 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO3/c13-9-3-1-2-7(4-9)8-5-10(15)11(12(16)17)14-6-8/h1-6,15H,(H,16,17) |
| InChI Key | KMZAXKDGIXGPOF-UHFFFAOYSA-N |
| MDL Number | MFCD30802547 |
| Molecular Formula | C12H8ClNO3 |
| Molecular Weight | 249.6498 |
| SMILES | c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)O)O |
| Synonyms | 1415226-40-2,
5-(3-Chlorophenyl)-3-hydroxypicolinic acid,
5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid,
SCHEMBL4370919,
KMZAXKDGIXGPOF-UHFFFAOYSA-N,
SB18200,
AK689584,
DS-20247,
DB-113469,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.019271g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.65g/mol |
| Monoisotopic Mass | 249.019271g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number