| CAS Number | 1283718-62-6 |
| Catalog Number | AG01E7S2 |
| Chemical Name | methyl 5-chloro-6-(trifluoromethyl)pyridine-3-carboxylate |
| IUPAC Name | methyl 5-chloro-6-(trifluoromethyl)pyridine-3-carboxylate |
| InChI | InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-2-5(9)6(13-3-4)8(10,11)12/h2-3H,1H3 |
| InChI Key | FHHJFYADOXLDNX-UHFFFAOYSA-N |
| MDL Number | MFCD16658111 |
| Molecular Formula | C8H5ClF3NO2 |
| Molecular Weight | 239.579 |
| SMILES | COC(C1=CC(Cl)=C(C(F)(F)F)N=C1)=O |
| Synonyms | AKOS033982875,
ZINC238327812,
Methyl 5-chloro-6-(trifluoromethyl)nicotinate,
Z2692093619,
methyl 5-chloro-6-(trifluoromethyl)pyridine-3-carboxylate,
1283718-62-6,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.578g/mol |
| Monoisotopic Mass | 238.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number