| CAS Number | 1807191-85-0 |
| Catalog Number | AG00I06F(AGN-PC-0WR8ON) |
| Chemical Name | 5-bromo-2-fluoro-3-(trifluoromethyl)phenol |
| IUPAC Name | 5-bromo-2-fluoro-3-(trifluoromethyl)phenol |
| InChI | InChI=1S/C7H3BrF4O/c8-3-1-4(7(10,11)12)6(9)5(13)2-3/h1-2,13H |
| InChI Key | OUHGZWFVMPQUMJ-UHFFFAOYSA-N |
| MDL Number | MFCD28739071 |
| Molecular Formula | C7H3BrF4O |
| Molecular Weight | 258.9957 |
| SMILES | c1(c(c(cc(c1)Br)O)F)C(F)(F)F |
| Synonyms | 5-BROMO-2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL,
1807191-85-0,
ZINC261494057,
|
| Complexity | 184 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.998g/mol |
| Monoisotopic Mass | 257.93g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number