| CAS Number | 1429056-37-0 |
| Catalog Number | AG01FD3Y(AGN-PC-3H49OB) |
| Chemical Name | 3,5-Difluoro-4-trifluoromethylanisole |
| IUPAC Name | 1,3-difluoro-5-methoxy-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5F5O/c1-14-4-2-5(9)7(6(10)3-4)8(11,12)13/h2-3H,1H3 |
| InChI Key | DDQXMVYPCHPCDD-UHFFFAOYSA-N |
| MDL Number | MFCD22648268 |
| Molecular Formula | C8H5F5O |
| Molecular Weight | 212.1167 |
| SMILES | COc1cc(F)c(c(c1)F)C(F)(F)F |
| Synonyms | 3,5-Difluoro-4-trifluoromethylanisole,
1429056-37-0,
SCHEMBL14767338,
ZINC85650644,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.119g/mol |
| Monoisotopic Mass | 212.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number