| CAS Number | 1805580-01-1 |
| Catalog Number | AG01FHEP(AGN-PC-3H4AO8) |
| Chemical Name | 6-Bromo-2-fluoro-3-(trifluoromethoxy)phenol |
| IUPAC Name | 6-bromo-2-fluoro-3-(trifluoromethoxy)phenol |
| InChI | InChI=1S/C7H3BrF4O2/c8-3-1-2-4(5(9)6(3)13)14-7(10,11)12/h1-2,13H |
| InChI Key | YSYNWSMUZYYJRT-UHFFFAOYSA-N |
| MDL Number | MFCD28740790 |
| Molecular Formula | C7H3BrF4O2 |
| Molecular Weight | 274.9951 |
| SMILES | OC1=C(F)C(OC(F)(F)F)=CC=C1Br |
| Synonyms | 6-BROMO-2-FLUORO-3-(TRIFLUOROMETHOXY)PHENOL,
1805580-01-1,
SCHEMBL18130015,
MFCD28740790,
AKOS032954262,
ZINC307045032,
ACN-056221,
FCH4101633,
PC53314,
PS-11430,
2-Bromo-5-(trifluoromethoxy)-6-fluorophenol,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.997g/mol |
| Monoisotopic Mass | 273.925g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number