| CAS Number | 1105988-42-8 |
| Catalog Number | AG01EL80(AGN-PC-0WCTAG) |
| Chemical Name | 2-FLUORO-6-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID |
| IUPAC Name | 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H3F4NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14) |
| InChI Key | IIXAAQLXVLZXBZ-UHFFFAOYSA-N |
| MDL Number | MFCD16611308 |
| Molecular Formula | C7H3F4NO2 |
| Molecular Weight | 209.0978 |
| SMILES | FC1=NC(=CC=C1C(=O)O)C(F)(F)F |
| Synonyms | 2-fluoro-6-(trifluoromethyl)nicotinic acid,
1105988-42-8,
ZINC85395452,
FCH1344919,
2-FLUORO-6-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.1g/mol |
| Monoisotopic Mass | 209.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number