4-Benzyloxy-3-methylphenylboronic acid pinacol ester - CAS 1257078-80-0
Catalog: |
BB073236 |
Product Name: |
4-Benzyloxy-3-methylphenylboronic acid pinacol ester |
CAS: |
1257078-80-0 |
Synonyms: |
2-(4-(benzyloxy)-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-Benzyloxy-3-methylphenylboronic acid pinacol ester; 4,4,5,5-tetramethyl-2-(3-methyl-4-phenylmethoxyphenyl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(3-methyl-4-phenylmethoxyphenyl)-1,3,2-dioxaborolane |
Molecular Weight: | 342.24 |
Molecular Formula: | C20H27BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C |
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 |
Complexity: | 401 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.1896748 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.1896748 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 27.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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