| CAS Number | 1813554-41-4 |
| Catalog Number | AG01FFYL(AGN-PC-3H4AIC) |
| Chemical Name | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]- |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C20H22BF3O3/c1-18(2)19(3,4)27-21(26-18)16-8-10-17(11-9-16)25-13-14-6-5-7-15(12-14)20(22,23)24/h5-12H,13H2,1-4H3 |
| InChI Key | PTNULFOLGVEJAS-UHFFFAOYSA-N |
| MDL Number | MFCD31916466 |
| Molecular Formula | C20H22BF3O3 |
| Molecular Weight | 378.1931 |
| SMILES | FC(C1=CC(COC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)=CC=C1)(F)F |
| Synonyms | 1813554-41-4,
AS-55505,
4,4,5,5-tetramethyl-2-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3,2-dioxaborolane,
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-,
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| Complexity | 485 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.198g/mol |
| Monoisotopic Mass | 378.161g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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