(2-Ethoxycarbonylmethylphenyl)boronic acid, pinacol ester - CAS 1228690-72-9
Catalog: |
BB065945 |
Product Name: |
(2-Ethoxycarbonylmethylphenyl)boronic acid, pinacol ester |
CAS: |
1228690-72-9 |
Synonyms: |
ETHYL 2-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATE; (2-(2-Ethoxy-2-oxoethyl)phenyl)boronic acid pinacol ester; ethyl 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate; 2-(Ethoxycarbonylmethyl)phenylboronic acid, pinacol ester |
IUPAC Name: | ethyl 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
Description: | (2-Ethoxycarbonylmethylphenyl)boronic acid, pinacol ester |
Molecular Weight: | 290.16 |
Molecular Formula: | C16H23BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CC(=O)OCC |
InChI: | InChI=1S/C16H23BO4/c1-6-19-14(18)11-12-9-7-8-10-13(12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3 |
InChI Key: | HPGZZDGRCJGYFU-UHFFFAOYSA-N |
Complexity: | 365 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.1689394 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.1689394 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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