| CAS Number | 1247461-08-0 |
| Catalog Number | AG01AF1H |
| Chemical Name | α,α-Difluoro-3-pyridineacetic acid |
| IUPAC Name | 2,2-difluoro-2-pyridin-3-ylacetic acid |
| InChI | InChI=1S/C7H5F2NO2/c8-7(9,6(11)12)5-2-1-3-10-4-5/h1-4H,(H,11,12) |
| InChI Key | AKIMTELMZIXCAV-UHFFFAOYSA-N |
| MDL Number | MFCD16748862 |
| Molecular Formula | C7H5F2NO2 |
| Molecular Weight | 173.1169 |
| SMILES | O=C(O)C(C1=CC=CN=C1)(F)F |
| Synonyms | 2,2-Difluoro-2-(pyridin-3-yl)acetic acid,
1247461-08-0,
MFCD16748862,
ZINC52232588,
AKOS011682062,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.119g/mol |
| Monoisotopic Mass | 173.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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