| CAS Number | 1935291-66-9 |
| Catalog Number | AG01FH9J(AGN-PC-3H4AN7) |
| Chemical Name | 2,4-Difluoro-5-methoxybenzotrifluoride |
| IUPAC Name | 1,5-difluoro-2-methoxy-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5F5O/c1-14-7-2-4(8(11,12)13)5(9)3-6(7)10/h2-3H,1H3 |
| InChI Key | MLOXCTCZEPSAAM-UHFFFAOYSA-N |
| MDL Number | MFCD28986197 |
| Molecular Formula | C8H5F5O |
| Molecular Weight | 212.1167 |
| SMILES | COc1cc(c(cc1F)F)C(F)(F)F |
| Synonyms | 2,4-Difluoro-5-methoxybenzotrifluoride,
MFCD28986197,
ZINC259431640,
FCH4213175,
PC52119,
PS-11417,
1935291-66-9,
|
| Complexity | 193 |
| 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