| CAS Number | 1225477-61-1 |
| Catalog Number | AG00HGRZ |
| Chemical Name | 2-(3,5-difluorophenyl)nicotinic acid |
| IUPAC Name | 2-(3,5-difluorophenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H7F2NO2/c13-8-4-7(5-9(14)6-8)11-10(12(16)17)2-1-3-15-11/h1-6H,(H,16,17) |
| InChI Key | NWLOIMIJIXDTOQ-UHFFFAOYSA-N |
| MDL Number | MFCD16318232 |
| Molecular Formula | C12H7F2NO2 |
| Molecular Weight | 235.1863 |
| SMILES | Fc1cc(F)cc(c1)c1ncccc1C(=O)O |
| Synonyms | 2-(3,5-DIFLUOROPHENYL)NICOTINIC ACID,
1225477-61-1,
2-(3,5-difluorophenyl)pyridine-3-carboxylic acid,
DTXSID00680765,
MFCD16318232,
CS-0060016,
K-1671,
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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 | 2.2 |
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