| CAS Number | 1099597-76-8 |
| Catalog Number | AG01FODU(AGN-PC-0WC0AU) |
| Chemical Name | 6-Methyl-2,3-bis-(trifluoromethyl)pyridine |
| IUPAC Name | 6-methyl-2,3-bis(trifluoromethyl)pyridine |
| InChI | InChI=1S/C8H5F6N/c1-4-2-3-5(7(9,10)11)6(15-4)8(12,13)14/h2-3H,1H3 |
| InChI Key | TVSKSASIHFEAQQ-UHFFFAOYSA-N |
| MDL Number | MFCD11226677 |
| Molecular Formula | C8H5F6N |
| Molecular Weight | 229.1224 |
| SMILES | CC1=NC(=C(C=C1)C(F)(F)F)C(F)(F)F |
| Synonyms | 6-Methyl-2,3-bis-(trifluoromethyl)pyridine,
6-methyl-2,3-bis(trifluoromethyl)pyridine,
1099597-76-8,
CTK7B6982,
BBL100959,
STL554753,
ZINC30718796,
AKOS005255839,
2,3-Bis(trifluoromethyl)-6-methylpyridine,
TR-057103,
Z-0485,
6-Methyl-2,3-bis-(trifluoromethyl)pyridine, AldrichCPR,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.125g/mol |
| Monoisotopic Mass | 229.033g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number