| CAS Number | 1820716-82-2 |
| Catalog Number | AG01FGSS(AGN-PC-3H4AKI) |
| Chemical Name | 1-Bromo-2-fluoro-4-nitro-5-(2,2,2-trifluoroethoxy)benzene |
| IUPAC Name | 1-bromo-2-fluoro-4-nitro-5-(2,2,2-trifluoroethoxy)benzene |
| InChI | InChI=1S/C8H4BrF4NO3/c9-4-1-7(17-3-8(11,12)13)6(14(15)16)2-5(4)10/h1-2H,3H2 |
| InChI Key | NMFYOYCHUIFMEB-UHFFFAOYSA-N |
| MDL Number | MFCD28155020 |
| Molecular Formula | C8H4BrF4NO3 |
| Molecular Weight | 318.0199 |
| SMILES | [O-][N+](=O)c1cc(F)c(cc1OCC(F)(F)F)Br |
| Synonyms | 4-Bromo-5-fluoro-2-(2,2,2-trifluoroethoxy)nitrobenzene,
1820716-82-2,
MFCD28155020,
ZINC169800496,
PC51229,
PS-10412,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.022g/mol |
| Monoisotopic Mass | 316.931g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number