2-Chloro-5-(methoxycarbonyl)phenylboronic acid

CAS

913835-92-4

Catalog Number

ACM913835924

Category

Boronic Acids

Molecular Weight

214.41072

Molecular Formula

C8H8BClO4

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

913835-92-4, 2-chloro-5-(methoxycarbonyl)phenylboronic acid, METHYL 3-BORONO-4-CHLOROBENZOATE, AG-H-74963, ACMC-209rad, SureCN559758, CTK5G9462, MolPort-001-768-302, Methyl 3-borono-4-chlorobenzoate,, ANW-39635, OR3429, AKOS015833642, AK-36848, KB-22403, X1479, (2-chloro-5-methoxycarbonylphenyl)boronic acid, 2-Chloro-5-(methoxycarbonyl)benzeneboronic acid, B-5786, (2-chloranyl-5-methoxycarbonyl-phenyl)boronic acid, A843842

IUPAC Name

(2-chloro-5-methoxycarbonylphenyl)boronic acid

Canonical SMILES

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

InChI Key

LZMDHZSRUQKDFI-UHFFFAOYSA-N

Boiling Point

386.8ºC at 760 mmHg

Melting Point

230-232ºC

Flash Point

187.7ºC

Density

1.39g/cm³

Exact Mass

214.02000

Hazard Statements

H-Bond Acceptor

H-Bond Donor

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

The molecular formula of 2-Chloro-5-(methoxycarbonyl)phenylboronic acid is C8H8BClO4.

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

The molecular weight of 2-Chloro-5-(methoxycarbonyl)phenylboronic acid is 214.41 g/mol.

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

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

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

The InChI of 2-Chloro-5-(methoxycarbonyl)phenylboronic acid is InChI=1S/C8H8BClO4/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,12-13H,1H3.

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

The InChIKey of 2-Chloro-5-(methoxycarbonyl)phenylboronic acid is LZMDHZSRUQKDFI-UHFFFAOYSA-N.

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

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

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

The CAS number of 2-Chloro-5-(methoxycarbonyl)phenylboronic acid is 913835-92-4.

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

2-Chloro-5-(methoxycarbonyl)phenylboronic acid has 2 hydrogen bond donor counts.

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

2-Chloro-5-(methoxycarbonyl)phenylboronic acid has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Chloro-5-(methoxycarbonyl)phenylboronic acid?

The topological polar surface area of 2-Chloro-5-(methoxycarbonyl)phenylboronic acid is 66.8Å².