| CAS Number | 1417567-37-3 |
| Catalog Number | AG01FOI2(AGN-PC-0WCC2X) |
| Chemical Name | 2-Fluoro-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene |
| IUPAC Name | 2-fluoro-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H3F7O/c9-6-4(7(10,11)12)2-1-3-5(6)16-8(13,14)15/h1-3H |
| InChI Key | QLXWMLUQVWQWHE-UHFFFAOYSA-N |
| MDL Number | MFCD22580889 |
| Molecular Formula | C8H3F7O |
| Molecular Weight | 248.0976 |
| SMILES | C1=CC(=C(C(=C1)OC(F)(F)F)F)C(F)(F)F |
| Synonyms | 2-fluoro-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene,
1417567-37-3,
BBL103950,
STL557760,
ZINC95215572,
AKOS016016245,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.1g/mol |
| Monoisotopic Mass | 248.007g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number