| CAS Number | 2059937-52-7 |
| Catalog Number | AG01BVOZ |
| Chemical Name | 2-Bromo-6-fluoro-3-(trifluoromethyl)benzoic acid |
| IUPAC Name | 2-bromo-6-fluoro-3-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C8H3BrF4O2/c9-6-3(8(11,12)13)1-2-4(10)5(6)7(14)15/h1-2H,(H,14,15) |
| InChI Key | XVUFMURDJMWSCI-UHFFFAOYSA-N |
| MDL Number | MFCD30497608 |
| Molecular Formula | C8H3BrF4O2 |
| Molecular Weight | 287.0058 |
| SMILES | c1cc(c(c(Br)c1C(F)(F)F)C(=O)O)F |
| Synonyms | 2-bromo-6-fluoro-3-(trifluoromethyl)benzoic acid,
2059937-52-7,
MFCD30497608,
AKOS033982869,
ZINC536948762,
Z2692093569,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number