| CAS Number | 1241828-99-8 |
| Catalog Number | AG009IM5(AGN-PC-0WAOTU) |
| Chemical Name | 4-Fluoro-2-(trifluoromethoxy)benzylamine |
| IUPAC Name | [4-fluoro-2-(trifluoromethoxy)phenyl]methanamine |
| InChI | InChI=1S/C8H7F4NO/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-3H,4,13H2 |
| InChI Key | YYVIURGLQBEQSP-UHFFFAOYSA-N |
| MDL Number | MFCD19687190 |
| Molecular Formula | C8H7F4NO |
| Molecular Weight | 209.1409 |
| SMILES | C1(=C(OC(F)(F)F)C=C(C=C1)F)CN |
| Synonyms | 4-Fluoro-2-(trifluoromethoxy)benzylamine,
1241828-99-8,
MFCD19687190,
SCHEMBL3711714,
ZINC91252309,
AKOS015957245,
FCH1359459,
JS-4959,
PC302340,
1-[4-FLUORO-2-(TRIFLUOROMETHOXY)PHENYL]METHANAMINE,
|
| 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 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number