| CAS Number | 112290-04-7 |
| Catalog Number | AG01FOHV(AGN-PC-02PCNP) |
| Chemical Name | 1-Bromo-4,5-difluoro-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-4,5-difluoro-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF5/c8-4-2-6(10)5(9)1-3(4)7(11,12)13/h1-2H |
| InChI Key | RYRRQLCTAKISEA-UHFFFAOYSA-N |
| MDL Number | MFCD11226699 |
| Molecular Formula | C7H2BrF5 |
| Molecular Weight | 260.9868 |
| SMILES | Fc1cc(Br)c(cc1F)C(F)(F)F |
| Synonyms | 2-Bromo-4,5-difluorobenzotrifluoride,
1-bromo-4,5-difluoro-2-(trifluoromethyl)benzene,
112290-04-7,
SCHEMBL9227013,
BBL103696,
STL557506,
ZINC95201954,
AKOS005256153,
X-4346,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.989g/mol |
| Monoisotopic Mass | 259.926g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number