| CAS Number | 65934-71-6 |
| Catalog Number | AG01A0AW(AGN-PC-001SU1) |
| Chemical Name | N-(propan-2-yl)-3-(trifluoromethyl)aniline |
| IUPAC Name | N-propan-2-yl-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C10H12F3N/c1-7(2)14-9-5-3-4-8(6-9)10(11,12)13/h3-7,14H,1-2H3 |
| InChI Key | GXUVGWHHCTZQSK-UHFFFAOYSA-N |
| MDL Number | MFCD11141970 |
| Molecular Formula | C10H12F3N |
| Molecular Weight | 203.2042 |
| SMILES | CC(NC1=CC(C(F)(F)F)=CC=C1)C |
| Synonyms | N-(propan-2-yl)-3-(trifluoromethyl)aniline,
65934-71-6,
n-isopropyl-3-(trifluoromethyl)aniline,
SCHEMBL633235,
ZINC19772293,
AKOS000231246,
MCULE-6348140505,
NE23948,
Z266512668,
|
| Complexity | 177 |
| 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 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number