| CAS Number | 2096341-24-9 |
| Catalog Number | AG01EH9F(AGN-PC-3H45EJ) |
| Chemical Name | 3-(Tetrahydropyran-4-yloxy)-5-trifluoromethylphenylboronic acid, pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[3-(oxan-4-yloxy)-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C18H24BF3O4/c1-16(2)17(3,4)26-19(25-16)13-9-12(18(20,21)22)10-15(11-13)24-14-5-7-23-8-6-14/h9-11,14H,5-8H2,1-4H3 |
| InChI Key | SJAHTTWVNOBUEO-UHFFFAOYSA-N |
| MDL Number | MFCD18434454 |
| Molecular Formula | C18H24BF3O4 |
| Molecular Weight | 372.1870 |
| SMILES | CC1(C)OB(OC1(C)C)c1cc(OC2CCOCC2)cc(c1)C(F)(F)F |
| Synonyms | 3-(Tetrahydropyran-4-yloxy)-5-trifluoromethylphenylboronic acid, pinacol ester,
2096341-24-9,
MFCD18434454,
AKOS030530096,
ZINC169936552,
A-3452,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.172g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.191g/mol |
| Monoisotopic Mass | 372.172g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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