2-Chloro-5-(ethoxycarbonyl)phenylboronic acid

CAS

913835-93-5

Catalog Number

ACM913835935

Category

Boronic Acids

Molecular Weight

228.4373

Molecular Formula

C9H10 B Cl O4

MSDS COA Spec Sheet

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Specification

Synonyms

Ethyl 3-borono-4-chlorobenzoate, 913835-93-5, 2-chloro-5-(ethoxycarbonyl)phenylboronic acid, 2-Chloro-5-(ethoxycarbonyl)benzeneboronic acid, ACMC-209rae, SureCN14150336, CTK5G9463, Ethyl 3-borono-4-chlorobenzoate,, MolPort-001-768-300, ANW-39636, OR3426, AKOS015833655, AB48257, AG-H-74964, AK-62113, KB-51087, X1453, B-5649, (2-Chloro-5-(ethoxycarbonyl)phenyl)boronic acid, I01-10586

IUPAC Name

(2-chloro-5-ethoxycarbonylphenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1)C(=O)OCC)Cl)(O)O

InChI Key

MWOJXHPAEOGJPL-UHFFFAOYSA-N

Boiling Point

394.9ºC at 760 mmHg

Melting Point

236-240ºC

Flash Point

192.6ºC

Density

1.33g/cm³

Exact Mass

228.03600

Hazard Statements

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid?

The molecular formula of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid is C9H10BClO4.

What is the molecular weight of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid?

The molecular weight of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid is 228.44 g/mol.

What is the IUPAC name of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid?

The IUPAC name of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid is (2-chloro-5-ethoxycarbonylphenyl)boronic acid.

What is the InChI of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid?

The InChI of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid is InChI=1S/C9H10BClO4/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,13-14H,2H2,1H3.

What is the InChIKey of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid?

The InChIKey of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid is MWOJXHPAEOGJPL-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid?

The canonical SMILES of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid is B(C1=C(C=CC(=C1)C(=O)OCC)Cl)(O)O.

What is the CAS number of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid?

The CAS number of 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid is 913835-93-5.

How many hydrogen bond donor count does 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid have?

2-Chloro-5-(ethoxycarbonyl)phenylboronic acid has 2 hydrogen bond donor count.

How many hydrogen bond acceptor count does 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid have?

2-Chloro-5-(ethoxycarbonyl)phenylboronic acid has 4 hydrogen bond acceptor count.

How many rotatable bond count does 2-Chloro-5-(ethoxycarbonyl)phenylboronic acid have?

2-Chloro-5-(ethoxycarbonyl)phenylboronic acid has 4 rotatable bond count.