| CAS Number | 1373864-11-9 |
| Catalog Number | AG01ABOW(AGN-PC-0WO83R) |
| Chemical Name | 5-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 5-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H6ClF2NO3/c9-5-1-4(8(13)14)2-12-7(5)15-3-6(10)11/h1-2,6H,3H2,(H,13,14) |
| InChI Key | WLNVGQDPQPPZNY-UHFFFAOYSA-N |
| MDL Number | MFCD24253775 |
| Molecular Formula | C8H6ClF2NO3 |
| Molecular Weight | 237.5879 |
| SMILES | OC(C1=CC(Cl)=C(OCC(F)F)N=C1)=O |
| Synonyms | 5-chloro-6-(2,2-difluoroethoxy)pyridine-3-carboxylic acid,
1373864-11-9,
SCHEMBL2713138,
WLNVGQDPQPPZNY-UHFFFAOYSA-N,
ZINC95644795,
AKOS020844597,
5-chloro-6-(2,2-difluoroethoxy)nicotinic acid,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.587g/mol |
| Monoisotopic Mass | 237g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number