| CAS Number | 194804-96-1 |
| Catalog Number | AG01EL7R(AGN-PC-02C29R) |
| Chemical Name | 4-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid |
| IUPAC Name | 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H3BrF4O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15) |
| InChI Key | PHLNXVHMVADJBE-UHFFFAOYSA-N |
| MDL Number | MFCD22052785 |
| Molecular Formula | C8H3BrF4O2 |
| Molecular Weight | 287.0058 |
| SMILES | OC(C1=C(F)C(C(F)(F)F)=C(Br)C=C1)=O |
| Synonyms | 4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid,
SCHEMBL7498864,
ZINC96032534,
194804-96-1,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.008g/mol |
| Monoisotopic Mass | 285.925g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number