| CAS Number | 1019364-36-3 |
| Catalog Number | AG01BF93 |
| Chemical Name | 2-(2,4-Difluorophenoxy)pyridine-4-carboxylic acid |
| IUPAC Name | 2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H7F2NO3/c13-8-1-2-10(9(14)6-8)18-11-5-7(12(16)17)3-4-15-11/h1-6H,(H,16,17) |
| InChI Key | AZIHENSDOJJAIH-UHFFFAOYSA-N |
| MDL Number | MFCD11522815 |
| Molecular Formula | C12H7F2NO3 |
| Molecular Weight | 251.1857 |
| SMILES | OC(C1=CC(OC2=C(F)C=C(F)C=C2)=NC=C1)=O |
| Synonyms | 2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid,
1019364-36-3,
ZINC19812902,
AKOS000206231,
NE43072,
Z285805636,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.189g/mol |
| Monoisotopic Mass | 251.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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