Boronic acid,b-[4-[(cyclohexylmethylamino)carbonyl]phenyl]-

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CAS
913835-84-4
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Purity
98%
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Catalog Number

ACM913835844

Product Name

Boronic acid,b-[4-[(cyclohexylmethylamino)carbonyl]phenyl]-

Structure

Structure

CAS

913835-84-4

Category

Heterocyclic Organic Compound

Synonyms

913835-84-4, BD231489, (4-(Cyclohexyl(methyl)carbamoyl)phenyl)boronic acid, MolPort-001-767-804, ANW-43576, OR3770, AKOS015888965, 4-Borono-N-cyclohexyl-N-methylbenzamide, N-Cyclohexyl-N-methyl 4-boronobenzamide, N-Cyclohexyl-N-methyl-4-boronobenzamide, AK-94599, KB-58019, N-Cyclohexyl-N-methyl 4-boronobenzamide,, B-5683, 4-[cyclohexyl(methyl)carbamoyl]phenylboronic acid, 4-[Cyclohexyl(methyl)carbamoyl]benzeneboronic acid, I01-16270

IUPAC Name

[4-[cyclohexyl(methyl)carbamoyl]phenyl]boronic acid

Molecular Weight

261.1245

Molecular Formula

C₁₄H₂₀BNO₃

Canonical SMILES

B(C1=CC=C(C=C1)C(=O)N(C)C2CCCCC2)(O)O

InChI Key

HJTPGROLNSBJDQ-UHFFFAOYSA-N

Boiling Point

476.1ºC at 760 mmHg

Flash Point

241.8ºC

Density

1.16g/cm³

Exact Mass

261.15400

Hazard Statements

Xi

H-Bond Acceptor

3

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of boronic acid?

The molecular formula of boronic acid is C14H20BNO3.

What is the molecular weight of boronic acid?

The molecular weight of boronic acid is 261.13 g/mol.

What is the IUPAC name of boronic acid?

The IUPAC name of boronic acid is [4-[cyclohexyl(methyl)carbamoyl]phenyl]boronic acid.

What is the InChI of boronic acid?

The InChI of boronic acid is InChI=1S/C14H20BNO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h7-10,13,18-19H,2-6H2,1H3.

What is the InChIKey of boronic acid?

The InChIKey of boronic acid is HJTPGROLNSBJDQ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does boronic acid have?

Boronic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does boronic acid have?

Boronic acid has 3 hydrogen bond acceptor counts.

What is the exact mass of boronic acid?

The exact mass of boronic acid is 261.1536237 g/mol.

What is the topological polar surface area of boronic acid?

The topological polar surface area of boronic acid is 60.8 Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.

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