| CAS Number | 1261758-54-6 |
| Catalog Number | AG01BDRC |
| Chemical Name | 2-Methyl-6-[3-(trifluoromethyl)phenyl]pyridine |
| IUPAC Name | 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine |
| InChI | InChI=1S/C13H10F3N/c1-9-4-2-7-12(17-9)10-5-3-6-11(8-10)13(14,15)16/h2-8H,1H3 |
| InChI Key | PWWSLTGKRGOQGI-UHFFFAOYSA-N |
| MDL Number | MFCD18422115 |
| Molecular Formula | C13H10F3N |
| Molecular Weight | 237.2204 |
| SMILES | CC1=NC(C2=CC(C(F)(F)F)=CC=C2)=CC=C1 |
| Synonyms | 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine,
1261758-54-6,
SCHEMBL2615262,
ZINC98095447,
AKOS033636355,
MCULE-9971669064,
NE16324,
Z1868316548,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.225g/mol |
| Monoisotopic Mass | 237.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number