| CAS Number | 1258627-10-9 |
| Catalog Number | AG009WRO(AGN-PC-0WNP1Z) |
| Chemical Name | 2-(2,4-Difluorophenyl)isonicotinic acid |
| IUPAC Name | 2-(2,4-difluorophenyl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H7F2NO2/c13-8-1-2-9(10(14)6-8)11-5-7(12(16)17)3-4-15-11/h1-6H,(H,16,17) |
| InChI Key | LCOCFESZSLZYAV-UHFFFAOYSA-N |
| MDL Number | MFCD17079067 |
| Molecular Formula | C12H7F2NO2 |
| Molecular Weight | 235.1863 |
| SMILES | Fc1ccc(c(c1)F)c1nccc(c1)C(=O)O |
| Synonyms | 2-(2,4-DIFLUOROPHENYL)ISONICOTINIC ACID,
1258627-10-9,
2-(2,4-Difluorophenyl)-isonicotinic acid,
CTK4J2029,
DTXSID80679516,
MFCD17079067,
ZINC65347576,
ACM500586447,
Z9014,
2-(2,4-difluorophenyl)pyridine-4-carboxylic acid,
C12H7F2NO2,
2-(2-Trifluoromethylphenyl)-isonicotinic acid,
500586-44-7,
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| Complexity | 288 |
| 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 | 2.2 |
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Certificate of Analysis
Lot Number