| CAS Number | 924909-21-7 |
| Catalog Number | AG01AJJS |
| Chemical Name | 4-(2,2,2-Trifluoroethoxy)-3-(trifluoromethyl)-aniline |
| IUPAC Name | 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C9H7F6NO/c10-8(11,12)4-17-7-2-1-5(16)3-6(7)9(13,14)15/h1-3H,4,16H2 |
| InChI Key | WPHQRFJBWOVJIT-UHFFFAOYSA-N |
| MDL Number | MFCD12876491 |
| Molecular Formula | C9H7F6NO |
| Molecular Weight | 259.1484 |
| SMILES | NC1=CC(C(F)(F)F)=C(OCC(F)(F)F)C=C1 |
| Synonyms | 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)aniline,
924909-21-7,
4-(2,2,2-Trifluoroethoxy)-3-(trifluoromethyl)-aniline,
SCHEMBL2791295,
ZINC37754672,
AKOS005935894,
NE15596,
EN300-80912,
A1-00947,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.151g/mol |
| Monoisotopic Mass | 259.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number