| CAS Number | 1423754-84-0 |
| Catalog Number | AG01A377 |
| Chemical Name | 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid |
| IUPAC Name | 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H7F2NO3/c9-6(10)4-14-7-3-1-2-5(11-7)8(12)13/h1-3,6H,4H2,(H,12,13) |
| InChI Key | CLGMATKWZACQSQ-UHFFFAOYSA-N |
| MDL Number | MFCD23701784 |
| Molecular Formula | C8H7F2NO3 |
| Molecular Weight | 203.1429 |
| SMILES | OC(C1=NC(OCC(F)F)=CC=C1)=O |
| Synonyms | 6-(2,2-difluoroethoxy)pyridine-2-carboxylic acid,
1423754-84-0,
ZINC84425330,
AKOS020844575,
MCULE-5958578516,
NE19726,
Z1532504550,
6-(2,2-Difluoro-ethoxy)-pyridine-2-carboxylic acid,
|
| 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 | 1.9 |
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Certificate of Analysis
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