| CAS Number | 1242249-84-8 |
| Catalog Number | AG019DUV(AGN-PC-0WBRAU) |
| Chemical Name | 2-Bromo-1-Fluoro-3-(Trifluoromethoxy)Benzene |
| IUPAC Name | 2-bromo-1-fluoro-3-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3BrF4O/c8-6-4(9)2-1-3-5(6)13-7(10,11)12/h1-3H |
| InChI Key | YPXLOIBEAHHYGO-UHFFFAOYSA-N |
| MDL Number | MFCD22551454 |
| Molecular Formula | C7H3BrF4O |
| Molecular Weight | 258.9957 |
| SMILES | C1=CC(=C(C(=C1)F)Br)OC(F)(F)F |
| Synonyms | 2-bromo-1-fluoro-3-(trifluoromethoxy)benzene,
1242249-84-8,
2988AD,
MFCD22551454,
ZINC95215520,
AKOS016016352,
1-Bromo-2-fluoro-6-(trifluoromethoxy)benzene,
C7H3BrF4O,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.998g/mol |
| Monoisotopic Mass | 257.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number