| CAS Number | 1417568-00-3 |
| Catalog Number | AG009YAJ(AGN-PC-0JIMCD) |
| Chemical Name | 2-Bromo-1,3-difluoro-5-(trifluoromethoxy)benzene |
| IUPAC Name | 2-bromo-1,3-difluoro-5-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H2BrF5O/c8-6-4(9)1-3(2-5(6)10)14-7(11,12)13/h1-2H |
| InChI Key | MGSXSXJQGYMGIG-UHFFFAOYSA-N |
| MDL Number | MFCD22580861 |
| Molecular Formula | C7H2BrF5O |
| Molecular Weight | 276.9862 |
| SMILES | FC1=C(Br)C(F)=CC(OC(F)(F)F)=C1 |
| Synonyms | 2-bromo-1,3-difluoro-5-(trifluoromethoxy)benzene,
1417568-00-3,
SCHEMBL17157399,
BBL103549,
MFCD22580861,
STL557359,
ZINC95215543,
AKOS016016585,
1-Bromo-2,6-difluoro-4-(trifluoromethoxy)benzene,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.988g/mol |
| Monoisotopic Mass | 275.921g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number