| CAS Number | 749875-05-6 |
| Catalog Number | AG01B5JK(AGN-PC-0H436P) |
| Chemical Name | 5-Chloro-6-(trifluoromethyl)nicotinic acid |
| IUPAC Name | 5-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H3ClF3NO2/c8-4-1-3(6(13)14)2-12-5(4)7(9,10)11/h1-2H,(H,13,14) |
| InChI Key | MWGOLCJXZMSNSL-UHFFFAOYSA-N |
| MDL Number | MFCD16658110 |
| Molecular Formula | C7H3ClF3NO2 |
| Molecular Weight | 225.5524 |
| SMILES | OC(C1=CC(Cl)=C(C(F)(F)F)N=C1)=O |
| Synonyms | 749875-05-6,
5-CHLORO-6-(TRIFLUOROMETHYL)NICOTINIC ACID,
5-CHLORO-6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID,
SCHEMBL487576,
ZINC95611739,
AKOS024263016,
AB71434,
5-chloro-6-trifluoromethyl-nicotinic acid,
6-(Trifluoromethyl)-5-chloropyridine-3-carboxylic acid,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.551g/mol |
| Monoisotopic Mass | 224.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number