| CAS Number | 1549597-57-0 |
| Catalog Number | AG01DVMJ |
| Chemical Name | 2-Bromo-1-fluoro-4-(2,2,2-trifluoroethoxy)benzene |
| IUPAC Name | 2-bromo-1-fluoro-4-(2,2,2-trifluoroethoxy)benzene |
| InChI | InChI=1S/C8H5BrF4O/c9-6-3-5(1-2-7(6)10)14-4-8(11,12)13/h1-3H,4H2 |
| InChI Key | NEKCXSBTWPBPLM-UHFFFAOYSA-N |
| MDL Number | MFCD25901238 |
| Molecular Formula | C8H5BrF4O |
| Molecular Weight | 273.0223 |
| SMILES | FC1=C(Br)C=C(OCC(F)(F)F)C=C1 |
| Synonyms | 2-bromo-1-fluoro-4-(2,2,2-trifluoroethoxy)benzene,
SCHEMBL18586671,
AKOS021553946,
A1-06943,
1549597-57-0,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.025g/mol |
| Monoisotopic Mass | 271.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number