| CAS Number | 1303708-85-1 |
| Catalog Number | AG01AM43 |
| Chemical Name | 5-Chloro-6-(oxan-4-yloxy)pyridine-3-carboxylic acid |
| IUPAC Name | 5-chloro-6-(oxan-4-yloxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C11H12ClNO4/c12-9-5-7(11(14)15)6-13-10(9)17-8-1-3-16-4-2-8/h5-6,8H,1-4H2,(H,14,15) |
| InChI Key | DNONWAOXRDPDER-UHFFFAOYSA-N |
| MDL Number | MFCD13332202 |
| Molecular Formula | C11H12ClNO4 |
| Molecular Weight | 257.6703 |
| SMILES | OC(C1=CC(Cl)=C(OC2CCOCC2)N=C1)=O |
| Synonyms | 5-chloro-6-(oxan-4-yloxy)pyridine-3-carboxylic acid,
1303708-85-1,
ZINC40992605,
AKOS010539274,
Z2216711543,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.67g/mol |
| Monoisotopic Mass | 257.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number