| CAS Number | 1021088-29-8 |
| Catalog Number | AG019XIY |
| Chemical Name | 2,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline |
| IUPAC Name | 2,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline |
| InChI | InChI=1S/C10H12F3N/c1-7-4-3-5-9(8(7)2)14-6-10(11,12)13/h3-5,14H,6H2,1-2H3 |
| InChI Key | WCQIIAOZKJTSSO-UHFFFAOYSA-N |
| MDL Number | MFCD11154239 |
| Molecular Formula | C10H12F3N |
| Molecular Weight | 203.2042 |
| SMILES | FC(F)(F)CNC1=CC=CC(C)=C1C |
| Synonyms | 2,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline,
1021088-29-8,
AC1Q2DRA,
CTK7B7182,
ZINC20055835,
AKOS000258478,
MCULE-6472121601,
NE53792,
BB 0241697,
EN300-55142,
(2,3-Dimethyl-phenyl)-(2,2,2-trifluoro-ethyl)-a mine,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.208g/mol |
| Monoisotopic Mass | 203.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number