| CAS Number | 1824097-18-8 |
| Catalog Number | AG01F944(AGN-PC-3H49BL) |
| Chemical Name | 3-Bromo-2-fluoro-6-(trifluoromethyl)benzyl alcohol |
| IUPAC Name | [3-bromo-2-fluoro-6-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H5BrF4O/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2,14H,3H2 |
| InChI Key | YKUCPRBBTIZKMR-UHFFFAOYSA-N |
| MDL Number | MFCD20923581 |
| Molecular Formula | C8H5BrF4O |
| Molecular Weight | 273.0223 |
| SMILES | OCC1C(C(F)(F)F)=CC=C(Br)C=1F |
| Synonyms | 3-Bromo-2-fluoro-6-(trifluoromethyl)benzyl alcohol,
1824097-18-8,
ZINC238707265,
FCH1613271,
PC501844,
|
| Complexity | 196 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.025g/mol |
| Monoisotopic Mass | 271.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number