| CAS Number | 2137823-73-3 |
| Catalog Number | AG01ELE3 |
| Chemical Name | 2-(4-bromo-2,6-difluorophenoxy)-2,2-difluoroacetic acid |
| IUPAC Name | 2-(4-bromo-2,6-difluorophenoxy)-2,2-difluoroacetic acid |
| InChI | InChI=1S/C8H3BrF4O3/c9-3-1-4(10)6(5(11)2-3)16-8(12,13)7(14)15/h1-2H,(H,14,15) |
| InChI Key | UBBWSRZEGDIEGU-UHFFFAOYSA-N |
| MDL Number | MFCD31559315 |
| Molecular Formula | C8H3BrF4O3 |
| Molecular Weight | 303.0052 |
| SMILES | OC(C(OC1=C(F)C=C(Br)C=C1F)(F)F)=O |
| Synonyms | 2-(4-bromo-2,6-difluorophenoxy)-2,2-difluoroacetic acid,
2137823-73-3,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.007g/mol |
| Monoisotopic Mass | 301.92g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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