| CAS Number | 1257078-80-0 |
| Catalog Number | AG00HIFR(AGN-PC-0WP1NJ) |
| Chemical Name | 4-Benzyloxy-3-methylphenylboronic acid pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(3-methyl-4-phenylmethoxyphenyl)-1,3,2-dioxaborolane |
| InChI | InChI=1S/C20H25BO3/c1-15-13-17(21-23-19(2,3)20(4,5)24-21)11-12-18(15)22-14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3 |
| InChI Key | OVDZZKAGMVSQSX-UHFFFAOYSA-N |
| MDL Number | MFCD18383421 |
| Molecular Formula | C20H25BO3 |
| Molecular Weight | 324.2217 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=C(OCC3=CC=CC=C3)C(C)=C2)O1 |
| Synonyms | 1257078-80-0,
2-(4-(benzyloxy)-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
4-Benzyloxy-3-methylphenylboronic acid pinacol ester,
SCHEMBL3767677,
OVDZZKAGMVSQSX-UHFFFAOYSA-N,
AKOS017552307,
ZINC204666013,
DA-46628,
FT-0769910,
2-(4-benzyloxy-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
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| Complexity | 401 |
| 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 |
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Certificate of Analysis
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