| CAS Number | 866632-64-6 |
| Catalog Number | AG01EDG3(AGN-PC-0D5BMK) |
| Chemical Name | 1-Bromo-4,5-difluoro-2-(trifluoromethoxy)benzene |
| IUPAC Name | 1-bromo-4,5-difluoro-2-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H2BrF5O/c8-3-1-4(9)5(10)2-6(3)14-7(11,12)13/h1-2H |
| InChI Key | FZIYAGQTBRSAEC-UHFFFAOYSA-N |
| MDL Number | MFCD22580797 |
| Molecular Formula | C7H2BrF5O |
| Molecular Weight | 276.9862 |
| SMILES | FC1=CC(Br)=C(OC(F)(F)F)C=C1F |
| Synonyms | 1-Bromo-4,5-difluoro-2-(trifluoromethoxy)benzene,
866632-64-6,
Benzene, 1-bromo-4,5-difluoro-2-(trifluoromethoxy)-,
SCHEMBL3287973,
FZIYAGQTBRSAEC-UHFFFAOYSA-N,
BBL102738,
STL556544,
ZINC95215469,
AKOS016016580,
J3.539.273D,
1-Bromo-4,5-difluoro-2-trifluoromethoxy-benzene,
1,2-Difluoro-4-(trifluoromethoxy)-5-bromobenzene,
|
| Complexity | 197 |
| 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