| CAS Number | 1423029-44-0 |
| Catalog Number | AG018HCA(AGN-PC-0WO6FU) |
| Chemical Name | 2-(2,2-Difluoroethoxy)isonicotinic acid |
| IUPAC Name | 2-(2,2-difluoroethoxy)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H7F2NO3/c9-6(10)4-14-7-3-5(8(12)13)1-2-11-7/h1-3,6H,4H2,(H,12,13) |
| InChI Key | GDMRWLQOPXWFJL-UHFFFAOYSA-N |
| MDL Number | MFCD22628441 |
| Molecular Formula | C8H7F2NO3 |
| Molecular Weight | 203.1429 |
| SMILES | OC(C1=CC(OCC(F)F)=NC=C1)=O |
| Synonyms | 2-(2,2-difluoroethoxy)pyridine-4-carboxylic acid,
1423029-44-0,
2-(2,2-difluoroethoxy)isonicotinic acid,
2-(2,2-Difluoro-ethoxy)-isonicotinic acid,
ZINC88611625,
AKOS020844483,
NE18428,
F2147-2135,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.145g/mol |
| Monoisotopic Mass | 203.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number