| CAS Number | 1049760-84-0 |
| Catalog Number | AG00HAJM(AGN-PC-0WQYDQ) |
| Chemical Name | 2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline hydrochloride |
| IUPAC Name | 2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)aniline;hydrochloride |
| InChI | InChI=1S/C9H7F6NO.ClH/c10-8(11,12)4-17-7-2-1-5(3-6(7)16)9(13,14)15;/h1-3H,4,16H2;1H |
| InChI Key | NHBIXROBPOJEQW-UHFFFAOYSA-N |
| MDL Number | MFCD08445308 |
| Molecular Formula | C9H8ClF6NO |
| Molecular Weight | 295.6093 |
| SMILES | Cl.NC1=C(OCC(F)(F)F)C=CC(C(F)(F)F)=C1 |
| Synonyms | 2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)aniline hydrochloride,
1049760-84-0,
AC1Q3CXS,
CTK7D5788,
MFCD08445308,
AKOS027430560,
MCULE-6421348101,
NE48114,
EN300-02829,
Z56838526,
2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)aniline, HCl,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.609g/mol |
| Monoisotopic Mass | 295.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number