9H-Carbazole-2-boronic acid pinacol ester

CAS

871125-67-6

Catalog Number

ACM871125676

Category

Boronic Esters

Molecular Weight

293.17

Molecular Formula

C₁₈H₂₀BNO₂

MSDS COA Spec Sheet

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Specification

Synonyms

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole,9H-Carbazol-2-ylboronic acid pinacol ester

IUPAC Name

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Canonical SMILES

CC1(C)OB(OC1(C)C)c2ccc3c(c2)[nH]c4ccccc34

InChI

1S/C18H20BNO2/c1-17(2)18(3,4)22-19(21-17)12-9-10-14-13-7-5-6-8-15(13)20-16(14)11-12/h5-11,20H,1-4H3,RLSJGSFDSSYNPL-UHFFFAOYSA-N

InChI Key

RLSJGSFDSSYNPL-UHFFFAOYSA-N

Boiling Point

362.4ºC at 760 mmHg

Melting Point

180-184ºC

Flash Point

172.9ºC

Density

1.13g/mL

Storage

room temp

Assay

0.9

Exact Mass

293.15900

Hazard Statements

N: Dangerous for the environment;

H-Bond Acceptor

H-Bond Donor

MDL Number

MFCD07784368

Packaging

1, 5 g in glass bottle

Quality Level

100

Safety Description

What is the molecular formula of 9H-carbazole-2-boronic acid pinacol ester?

The molecular formula of 9H-carbazole-2-boronic acid pinacol ester is C18H20BNO2.

What is the molecular weight of 9H-carbazole-2-boronic acid pinacol ester?

The molecular weight of 9H-carbazole-2-boronic acid pinacol ester is 293.2 g/mol.

What is the IUPAC name of 9H-carbazole-2-boronic acid pinacol ester?

The IUPAC name of 9H-carbazole-2-boronic acid pinacol ester is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole.

What is the InChIKey of 9H-carbazole-2-boronic acid pinacol ester?

The InChIKey of 9H-carbazole-2-boronic acid pinacol ester is RLSJGSFDSSYNPL-UHFFFAOYSA-N.

How many hydrogen bond donor count does 9H-carbazole-2-boronic acid pinacol ester have?

9H-carbazole-2-boronic acid pinacol ester has 1 hydrogen bond donor count.

What is the topological polar surface area of 9H-carbazole-2-boronic acid pinacol ester?

The topological polar surface area of 9H-carbazole-2-boronic acid pinacol ester is 34.2 Å².

Does 9H-carbazole-2-boronic acid pinacol ester have any defined atom stereocenter count?

No, 9H-carbazole-2-boronic acid pinacol ester does not have any defined atom stereocenter count.

How many rotatable bond counts does 9H-carbazole-2-boronic acid pinacol ester have?

9H-carbazole-2-boronic acid pinacol ester has 1 rotatable bond count.

Is 9H-carbazole-2-boronic acid pinacol ester a canonicalized compound?

Yes, 9H-carbazole-2-boronic acid pinacol ester is a canonicalized compound.

What is the European Community (EC) number of 9H-carbazole-2-boronic acid pinacol ester?

The European Community (EC) number of 9H-carbazole-2-boronic acid pinacol ester is 835-265-9.