| CAS Number | 5123-05-7 |
| Catalog Number | AG01E6KS(AGN-PC-0JD8WL) |
| Chemical Name | 4-Biphenylboronic acid, neopentyl ester |
| IUPAC Name | 5,5-dimethyl-2-(4-phenylphenyl)-1,3,2-dioxaborinane |
| InChI | InChI=1S/C17H19BO2/c1-17(2)12-19-18(20-13-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3 |
| InChI Key | YDDJRASPLUZILE-UHFFFAOYSA-N |
| MDL Number | MFCD28515419 |
| Molecular Formula | C17H19BO2 |
| Molecular Weight | 266.1426 |
| SMILES | C1(=CC=C(C=C1)B1OCC(CO1)(C)C)C1=CC=CC=C1 |
| Synonyms | 5123-05-7,
CTK1G5185,
DTXSID20789587,
2-(4-Biphenylyl)-5,5-dimethyl-1,3,2-dioxaborinane,
1,3,2-Dioxaborinane, 2-[1,1'-biphenyl]-4-yl-5,5-dimethyl-,
2-([1,1'-Biphenyl]-4-yl)-5,5-dimethyl-1,3,2-dioxaborinane,
4-Biphenylboronic acid, neopentyl ester,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.147g/mol |
| Monoisotopic Mass | 266.148g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number