What is the molecular formula of 4-Benzyloxyphenylboronic acid, pinacol ester?

The molecular formula is C19H23BO3.

What is the molecular weight of 4-Benzyloxyphenylboronic acid, pinacol ester?

The molecular weight is 310.2 g/mol.

What is the IUPAC name of 4-Benzyloxyphenylboronic acid, pinacol ester?

The IUPAC name is 4,4,5,5-tetramethyl-2-(4-phenylmethoxyphenyl)-1,3,2-dioxaborolane.

What is the InChI of 4-Benzyloxyphenylboronic acid, pinacol ester?

The InChI is InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-12-17(13-11-16)21-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3.

What is the InChIKey of 4-Benzyloxyphenylboronic acid, pinacol ester?

The InChIKey is KMKOKPUXZWBMEI-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Benzyloxyphenylboronic acid, pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3.

What is the DSSTox Substance ID of 4-Benzyloxyphenylboronic acid, pinacol ester?

The DSSTox Substance ID is DTXSID50407868.

Is 4-Benzyloxyphenylboronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

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4-Benzyloxyphenylboronic acid, pinacol ester

Name: 4-Benzyloxyphenylboronic acid, pinacol ester
SKU: ACM754226409
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Catalog NumberACM754226409

CAS Number754226-40-9

CategorySalt

Synonyms

594148_ALDRICH, BM117, 4-Benzyloxyphenylboronic acid pinacol ester, 4-(Benzyloxy)phenylboronic acid pinacol ester, 2-(4-Benzyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 754226-40-9

IUPAC Name

4,4,5,5-tetramethyl-2-[4-(phenylmethoxy)phenyl]-1,3,2-dioxaborolane

Molecular Weight

310.2

Molecular Formula

C₁₉H₂₃BO₃

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI Key

KMKOKPUXZWBMEI-UHFFFAOYSA-N

Boiling Point

428.5ºC at 760 mmHg

Melting Point

81-85ºC(lit.)

Flash Point

213ºC

Purity

98%

Density

1.08g/cm³

Exact Mass

328.18500

Hazard Statements

Xi: Irritant;

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