| CAS Number | 186386-90-3 |
| Catalog Number | AG01AI9A(AGN-PC-01679S) |
| Chemical Name | 4-Fluoro-2-(2,2,2-trifluoroethoxy)aniline |
| IUPAC Name | 4-fluoro-2-(2,2,2-trifluoroethoxy)aniline |
| InChI | InChI=1S/C8H7F4NO/c9-5-1-2-6(13)7(3-5)14-4-8(10,11)12/h1-3H,4,13H2 |
| InChI Key | KTJBWMIVXDHCNT-UHFFFAOYSA-N |
| MDL Number | MFCD09738718 |
| Molecular Formula | C8H7F4NO |
| Molecular Weight | 209.1409 |
| SMILES | NC1=C(OCC(F)(F)F)C=C(F)C=C1 |
| Synonyms | 4-FLUORO-2-(2,2,2-TRIFLUOROETHOXY)ANILINE,
186386-90-3,
SCHEMBL7821233,
CTK7B9557,
SBB073332,
ZINC22221094,
AKOS000148071,
MCULE-1413913503,
NE25397,
EN300-77084,
4-fluoro-2-(2,2,2-trifluoroethoxy)phenylamine,
Z1267882024,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.144g/mol |
| Monoisotopic Mass | 209.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number