| CAS Number | 493038-91-8 |
| Catalog Number | AG01FH7Z(AGN-PC-3H4AMC) |
| Chemical Name | 2,6-Difluoro-4-(trifluoromethyl)benzyl bromide |
| IUPAC Name | 2-(bromomethyl)-1,3-difluoro-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H4BrF5/c9-3-5-6(10)1-4(2-7(5)11)8(12,13)14/h1-2H,3H2 |
| InChI Key | WZOUPBFISGAUPS-UHFFFAOYSA-N |
| MDL Number | MFCD28515367 |
| Molecular Formula | C8H4BrF5 |
| Molecular Weight | 275.0134 |
| SMILES | FC1=C(CBr)C(=CC(=C1)C(F)(F)F)F |
| Synonyms | 2,6-Difluoro-4-(trifluoromethyl)benzyl bromide,
493038-91-8,
MFCD28515367,
ZINC169795575,
FCH3717050,
PS-9919,
PC501487,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.016g/mol |
| Monoisotopic Mass | 273.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number