| CAS Number | 2096341-86-3 |
| Catalog Number | AG01EH59 |
| Chemical Name | 3-(Tetrahydropyran-2-yl)methoxy-5-trifluoromethylphenylboronic acid, pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[3-(oxan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H26BF3O4/c1-17(2)18(3,4)27-20(26-17)14-9-13(19(21,22)23)10-16(11-14)25-12-15-7-5-6-8-24-15/h9-11,15H,5-8,12H2,1-4H3 |
| InChI Key | BMZHYBAXJQFTLD-UHFFFAOYSA-N |
| MDL Number | MFCD18434455 |
| Molecular Formula | C19H26BF3O4 |
| Molecular Weight | 386.2135 |
| SMILES | FC(c1cc(OCC2CCCCO2)cc(c1)B1OC(C(O1)(C)C)(C)C)(F)F |
| Synonyms | 3-(Tetrahydropyran-2-yl)methoxy-5-trifluoromethylphenylboronic acid, pinacol ester,
2096341-86-3,
MFCD18434455,
A-3451,
|
| Complexity | 496 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.218g/mol |
| Monoisotopic Mass | 386.188g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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