| CAS Number | 186387-91-7 |
| Catalog Number | AG019KNA(AGN-PC-00UXWK) |
| Chemical Name | 5-chloro-2-(2,2,2-trifluoroethoxy)aniline |
| IUPAC Name | 5-chloro-2-(2,2,2-trifluoroethoxy)aniline |
| InChI | InChI=1S/C8H7ClF3NO/c9-5-1-2-7(6(13)3-5)14-4-8(10,11)12/h1-3H,4,13H2 |
| InChI Key | QVHQVFPXAKZMKQ-UHFFFAOYSA-N |
| MDL Number | MFCD09376441 |
| Molecular Formula | C8H7ClF3NO |
| Molecular Weight | 225.5955 |
| SMILES | NC1=C(OCC(F)(F)F)C=CC(Cl)=C1 |
| Synonyms | 5-chloro-2-(2,2,2-trifluoroethoxy)aniline,
186387-91-7,
AC1Q518J,
SCHEMBL7832979,
CTK6G8547,
MFCD09376441,
SBB073331,
ZINC12505580,
AKOS000117959,
MCULE-2117291232,
NE45484,
EN300-27593,
5-chloro-2-(2,2,2-trifluoroethoxy)phenylamine,
Z235345059,
|
| 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