| CAS Number | 186387-90-6 |
| Catalog Number | AG01AHVO(AGN-PC-0A1L4Q) |
| Chemical Name | 4-Chloro-2-(2,2,2-trifluoroethoxy)aniline |
| IUPAC Name | 4-chloro-2-(2,2,2-trifluoroethoxy)aniline |
| InChI | InChI=1S/C8H7ClF3NO/c9-5-1-2-6(13)7(3-5)14-4-8(10,11)12/h1-3H,4,13H2 |
| InChI Key | KLRUDTNBNBHCES-UHFFFAOYSA-N |
| MDL Number | MFCD11892539 |
| Molecular Formula | C8H7ClF3NO |
| Molecular Weight | 225.5955 |
| SMILES | NC1=C(OCC(F)(F)F)C=C(Cl)C=C1 |
| Synonyms | 4-chloro-2-(2,2,2-trifluoroethoxy)aniline,
186387-90-6,
SCHEMBL7834767,
ZINC33425109,
AKOS008153254,
MCULE-4677004141,
NE30525,
EN300-75947,
Z1267881627,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.595g/mol |
| Monoisotopic Mass | 225.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number