| CAS Number | 1313761-90-8 |
| Catalog Number | AG01FNNC(AGN-PC-3H4BG8) |
| Chemical Name | Boronic acid, B-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]- |
| IUPAC Name | [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C14H12BF3O3/c16-14(17,18)11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)15(19)20/h1-8,19-20H,9H2 |
| InChI Key | HWAZCPFSCLSHPR-UHFFFAOYSA-N |
| MDL Number | MFCD13655816 |
| Molecular Formula | C14H12BF3O3 |
| Molecular Weight | 296.0495 |
| SMILES | FC(C1=CC(COC2=CC=CC=C2B(O)O)=CC=C1)(F)F |
| Synonyms | AS-71514,
(2-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)boronic acid,
1313761-90-8,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.083159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.05g/mol |
| Monoisotopic Mass | 296.083159g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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