4-Cyanobenzylboronic Acid Pinacol Ester - CAS 475250-43-2
Catalog: |
BB026330 |
Product Name: |
4-Cyanobenzylboronic Acid Pinacol Ester |
CAS: |
475250-43-2 |
Synonyms: |
4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzonitrile; 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzonitrile |
IUPAC Name: | 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzonitrile |
Description: | 4-Cyanobenzylboronic Acid Pinacol Ester (CAS# 475250-43-2) is a useful research chemical compound. |
Molecular Weight: | 243.11 |
Molecular Formula: | C14H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)9-11-5-7-12(10-16)8-6-11/h5-8H,9H2,1-4H3 |
InChI Key: | IBNNFFDCOHDYJE-UHFFFAOYSA-N |
LogP: | 2.99858 |
Publication Number | Title | Priority Date |
CN-110790661-A | Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by using carbon dioxide | 20191029 |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.143059 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.143059 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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