| CAS Number | 2052955-21-0 |
| Catalog Number | AG01FONZ(AGN-PC-0WCJY1) |
| Chemical Name | 4-(4-Methoxybenzyl)phenylboronic Acid Pinacol Ester |
| IUPAC Name | 2-[4-[(4-methoxyphenyl)methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C20H25BO3/c1-19(2)20(3,4)24-21(23-19)17-10-6-15(7-11-17)14-16-8-12-18(22-5)13-9-16/h6-13H,14H2,1-5H3 |
| InChI Key | QFRIXBSWUHSRMS-UHFFFAOYSA-N |
| Molecular Formula | C20H25BO3 |
| Molecular Weight | 324.2217 |
| SMILES | COC1=CC=C(CC2=CC=C(B3OC(C)(C(C)(O3)C)C)C=C2)C=C1 |
| Synonyms | 2-{4-[(4-methoxyphenyl)methyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
2052955-21-0,
4-(4-Methoxybenzyl)phenylboronic acid pinacol ester,
AMTB1040,
KS-000022NL,
MFCD28127159,
AKOS024462301,
ZINC214108220,
AS-3087,
C20H25BO3,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.227g/mol |
| Monoisotopic Mass | 324.19g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number