| CAS Number | 1039868-92-2 |
| Catalog Number | AG019XTL |
| Chemical Name | 3-fluoro-4-[2-(trifluoromethyl)phenoxy]aniline |
| IUPAC Name | 3-fluoro-4-[2-(trifluoromethyl)phenoxy]aniline |
| InChI | InChI=1S/C13H9F4NO/c14-10-7-8(18)5-6-12(10)19-11-4-2-1-3-9(11)13(15,16)17/h1-7H,18H2 |
| InChI Key | HIIIVABZLPUXHX-UHFFFAOYSA-N |
| MDL Number | MFCD12469916 |
| Molecular Formula | C13H9F4NO |
| Molecular Weight | 271.2103 |
| SMILES | NC1=CC(F)=C(OC2=C(C(F)(F)F)C=CC=C2)C=C1 |
| Synonyms | 3-fluoro-4-[2-(trifluoromethyl)phenoxy]aniline,
1039868-92-2,
AC1Q51OR,
CTK7D6760,
ZINC20474894,
AKOS005881611,
MCULE-9749204552,
NE15516,
EN300-56006,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.215g/mol |
| Monoisotopic Mass | 271.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number