4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane

CAS
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CAS
912569-68-7
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM912569687

Product Name

4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane

Structure

Structure

CAS

912569-68-7

Category

Heterocyclic Organic Compound

Synonyms

912569-68-7, 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane, CTK5G9139, MolPort-000-143-999, AG-H-74344, CC63639, KB-71760, 3-(Phenoxymethyl)benzeneboronic acid, pinacol ester

IUPAC Name

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

Molecular Weight

310.199

Molecular Formula

C₁₉H₂₃BO₃

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)COC3=CC=CC=C3

InChI Key

AFDZGEOQKHIWKF-UHFFFAOYSA-N

Boiling Point

433.9ºC at 760 mmHg

Melting Point

76.5-77.5ºC

Flash Point

216.2ºC

Density

1.08g/cm³

Exact Mass

310.17400

H-Bond Acceptor

3

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?

The molecular formula is C19H23BO3.

When was PubChem CID 24229702 created and last modified?

It was created on February 29, 2008, and last modified on December 30, 2023.

What is the IUPAC name of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?

The IUPAC name is 4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane.

What is the InChIKey of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?

The InChIKey is AFDZGEOQKHIWKF-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane have?

It has 3 hydrogen bond acceptor counts.

What is the exact mass of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?

The exact mass is 310.1740248 g/mol.

How many rotatable bond counts does 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane have?

It has 4 rotatable bond counts.

What is the topological polar surface area of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?

The topological polar surface area is 27.7?2.

How many heavy atom counts does 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane have?

It has 23 heavy atom counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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