| CAS Number | 886498-06-2 |
| Catalog Number | AG00IZHM(AGN-PC-0WAZJS) |
| Chemical Name | 2-(Methylsulfonyl)-3-(trifluoromethyl)pyridine |
| IUPAC Name | 2-methylsulfonyl-3-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H6F3NO2S/c1-14(12,13)6-5(7(8,9)10)3-2-4-11-6/h2-4H,1H3 |
| InChI Key | NEBOYTZGLSKYSC-UHFFFAOYSA-N |
| MDL Number | MFCD06798031 |
| Molecular Formula | C7H6F3NO2S |
| Molecular Weight | 225.1882 |
| SMILES | C1=CC=C(C(F)(F)F)C(S(=O)(=O)C)=N1 |
| Synonyms | 2-Methylsulfonyl-3-trifluoromethylpyridine,
886498-06-2,
2-methanesulfonyl-3-(trifluoromethyl)pyridine,
2-(Methylsulfonyl)-3-(trifluoromethyl)pyridine,
AC1MC4YA,
ZINC4245004,
AKOS026674975,
FS-1787,
2-methylsulfonyl-3-(trifluoromethyl)pyridine,
KS-00002591,
ZINC04245004,
CID2761439,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.185g/mol |
| Monoisotopic Mass | 225.007g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number