Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]-

CAS

913835-39-9

Catalog Number

ACM913835399

Category

Other Products

Molecular Weight

289.52192

Molecular Formula

C₁₄H₁₃BClNO₃

MSDS COA Spec Sheet

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Specification

Synonyms

913835-39-9, N-(2-Chloro-4-methylphenyl) 4-boronobenzamide, BD231422, (4-((2-Chloro-4-methylphenyl)carbamoyl)phenyl)boronic acid, ACMC-209r99, CTK5G9447, MolPort-001-767-796, ANW-39595, OR3777, AKOS015833631, AG-H-74910, AK-94515, KB-55382, N-(2-Chloro-4-methylphenyl)4-boronobenzamide, B-5601, N-(2-Chloro-4-methylphenyl) 4-boronobenzamide,, I01-10662, 4-[(2-chloro-4-methylphenyl)carbamoyl]phenylboronic acid, 4-[(2-Chloro-4-methylphenyl)carbamoyl]benzeneboronic acid

IUPAC Name

[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C)Cl)(O)O

InChI Key

OLWULFVOADOJBR-UHFFFAOYSA-N

Melting Point

234-236ºC

Density

1.34g/cm³

Exact Mass

289.06800

Hazard Statements

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]?

The molecular formula of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl] is C14H13BClNO3.

When was Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl] created and last modified?

Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl] was created on July 21, 2009, and last modified on December 30, 2023.

What is the IUPAC name of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]?

The IUPAC name of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl] is [4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]boronic acid.

What is the InChIKey of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]?

The InChIKey of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl] is OLWULFVOADOJBR-UHFFFAOYSA-N.

How many hydrogen bond donor counts are present in Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]?

There are 3 hydrogen bond donor counts present in Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl].

What is the exact mass of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]?

The exact mass of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl] is 289.0677011 g/mol.

How many rotatable bond counts are present in Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]?

There are 3 rotatable bond counts present in Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl].

What is the topological polar surface area of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]?

The topological polar surface area of Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl] is 69.6 Å².

How many heavy atoms are present in Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl]?

There are 20 heavy atoms present in Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl].

Is Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl] the canonicalized form?

Yes, Boronic acid,b-[4-[[(2-chloro-4-methylphenyl)amino]carbonyl]phenyl] is in the canonicalized form.