| CAS Number | 137640-91-6 |
| Catalog Number | AG019ZNS(AGN-PC-0EHOMO) |
| Chemical Name | 6-(3-Chlorophenoxy)pyridine-2-carboxylic acid |
| IUPAC Name | 6-(3-chlorophenoxy)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO3/c13-8-3-1-4-9(7-8)17-11-6-2-5-10(14-11)12(15)16/h1-7H,(H,15,16) |
| InChI Key | OLZSEIZULIUQSP-UHFFFAOYSA-N |
| MDL Number | MFCD17455714 |
| Molecular Formula | C12H8ClNO3 |
| Molecular Weight | 249.6498 |
| SMILES | OC(C1=NC(OC2=CC(Cl)=CC=C2)=CC=C1)=O |
| Synonyms | 6-(3-chlorophenoxy)pyridine-2-carboxylic acid,
137640-91-6,
ZINC51041533,
AKOS011537342,
MCULE-9218828226,
NE61926,
RP28872,
Z1680797494,
2-pyridinecarboxylic acid,6-(3-chlorophenoxy)-,
|
| Complexity | 275 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.65g/mol |
| Monoisotopic Mass | 249.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number