| CAS Number | 1221824-16-3 |
| Catalog Number | AG00HGO2 |
| Chemical Name | 4-(2-Phenylethoxy)phenylboronic acid pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[4-(2-phenylethoxy)phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C20H25BO3/c1-19(2)20(3,4)24-21(23-19)17-10-12-18(13-11-17)22-15-14-16-8-6-5-7-9-16/h5-13H,14-15H2,1-4H3 |
| InChI Key | XNMMDTNMHZSXOR-UHFFFAOYSA-N |
| MDL Number | MFCD22493697 |
| Molecular Formula | C20H25BO3 |
| Molecular Weight | 324.2217 |
| SMILES | CC1(C)OB(OC1(C)C)c1ccc(cc1)OCCc1ccccc1 |
| Synonyms | 1221824-16-3,
4-(2-Phenylethoxy)phenylboronic acid pinacol ester,
4,4,5,5-Tetramethyl-2-(4-phenethoxyphenyl)-1,3,2-dioxaborolane,
SCHEMBL257763,
ZINC202561266,
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| Complexity | 380 |
| 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 | 5 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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