| CAS Number | 1333084-04-0 |
| Catalog Number | AG01FFX8(AGN-PC-3H4AH5) |
| Chemical Name | Boronic acid, B-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]- |
| IUPAC Name | [3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C14H12BF3O3/c16-14(17,18)11-6-4-10(5-7-11)9-21-13-3-1-2-12(8-13)15(19)20/h1-8,19-20H,9H2 |
| InChI Key | GSHNWRXALBFJMI-UHFFFAOYSA-N |
| MDL Number | MFCD31916449 |
| Molecular Formula | C14H12BF3O3 |
| Molecular Weight | 296.0495 |
| SMILES | FC(C1=CC=C(C=C1)COC=1C=C(C=CC1)B(O)O)(F)F |
| Synonyms | 1333084-04-0,
AKOS010959515,
AS-55475,
(3-{[4-(trifluoromethyl)phenyl]methoxy}phenyl)boronic acid,
Boronic acid, B-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.052g/mol |
| Monoisotopic Mass | 296.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number