| CAS Number | 1226098-50-5 |
| Catalog Number | AG009WRP(AGN-PC-0WABN5) |
| Chemical Name | 6-(3,5-Difluorophenyl)picolinic acid |
| IUPAC Name | 6-(3,5-difluorophenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C12H7F2NO2/c13-8-4-7(5-9(14)6-8)10-2-1-3-11(15-10)12(16)17/h1-6H,(H,16,17) |
| InChI Key | RPBRVJLENUJJBZ-UHFFFAOYSA-N |
| MDL Number | MFCD11847143 |
| Molecular Formula | C12H7F2NO2 |
| Molecular Weight | 235.1863 |
| SMILES | O=C(O)C1=NC(C2=CC(F)=CC(F)=C2)=CC=C1 |
| Synonyms | 6-(3,5-difluorophenyl)picolinic acid,
1226098-50-5,
MFCD11847143,
ZINC41265021,
SC-31634,
Z8621,
C12H7F2NO2,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.19g/mol |
| Monoisotopic Mass | 235.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number