| CAS Number | 2096330-34-4 |
| Catalog Number | AG01EH9I(AGN-PC-3H45EM) |
| Chemical Name | 3-(Tetrahydro-2H-pyran-4-ylmethoxy)-5-trifluoromethylphenylboronic acid, pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H26BF3O4/c1-17(2)18(3,4)27-20(26-17)15-9-14(19(21,22)23)10-16(11-15)25-12-13-5-7-24-8-6-13/h9-11,13H,5-8,12H2,1-4H3 |
| InChI Key | WMDAQVFYXLSPMS-UHFFFAOYSA-N |
| MDL Number | MFCD18087744 |
| Molecular Formula | C19H26BF3O4 |
| Molecular Weight | 386.2135 |
| SMILES | FC(c1cc(OCC2CCOCC2)cc(c1)B1OC(C(O1)(C)C)(C)C)(F)F |
| Synonyms | 3-(Tetrahydro-2H-pyran-4-ylmethoxy)-5-trifluoromethylphenylboronic acid, pinacol ester,
2096330-34-4,
MFCD18087744,
AKOS030530092,
ZINC169936546,
B-9780,
|
| Complexity | 490 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number