| CAS Number | 954255-32-4 |
| Catalog Number | AG019T3J |
| Chemical Name | 6-(2-Chlorophenoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(2-chlorophenoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO3/c13-9-3-1-2-4-10(9)17-11-6-5-8(7-14-11)12(15)16/h1-7H,(H,15,16) |
| InChI Key | LARAATUDIYMQMD-UHFFFAOYSA-N |
| MDL Number | MFCD09739408 |
| Molecular Formula | C12H8ClNO3 |
| Molecular Weight | 249.6498 |
| SMILES | OC(C1=CN=C(OC2=C(Cl)C=CC=C2)C=C1)=O |
| Synonyms | 6-(2-chlorophenoxy)pyridine-3-carboxylic acid,
954255-32-4,
SCHEMBL6840273,
CTK6H3453,
ZINC22222340,
AKOS000146004,
6-(2-CHLOROPHENOXY)NICOTINIC ACID,
BC4149399,
EN300-96077,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number