4-Chloro-3-(methoxycarbonyl)phenylboronic acid

• CAS: 874219-45-1
• Catalog Number: ACM874219451
• Category: Boronic Acids
• Molecular Weight: 214.41
• Molecular Formula: C8H8 B Cl O4
• Synonyms: 4-CHLORO-3-(METHOXYCARBONYL)PHENYLBORONIC ACID, 874219-45-1, AG-H-52744, 4-Chloro-3-(methoxycarbonyl)benzeneboronic acid, ACMC-209ql9, SureCN660617, CTK5F8372, MolPort-000-931-651, ANW-38731, OR9368, AKOS004119207, AB30087, METHYL 5-BORONO-2-CHLOROBENZOATE, AK-49017, BR-49017, KB-37836, FT-0645006, X1439, (4-chloro-3-methoxycarbonylphenyl)boronic acid, B-5386
• IUPAC Name: (4-chloro-3-methoxycarbonylphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=C(C=C1)Cl)C(=O)OC)(O)O
• InChI Key: YEPWHDGFBVDINZ-UHFFFAOYSA-N
• Boiling Point: 384.205ºC at 760 mmHg
• Melting Point: 136-138ºC
• Flash Point: 186.161ºC
• Density: 1.39g/cm³
• Exact Mass: 214.02000
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 4-Chloro-3-(methoxycarbonyl)phenylboronic acid?

The molecular formula is C8H8BClO4.

What is the molecular weight of 4-Chloro-3-(methoxycarbonyl)phenylboronic acid?

The molecular weight is 214.41 g/mol.

What is the IUPAC name of 4-Chloro-3-(methoxycarbonyl)phenylboronic acid?

The IUPAC name is (4-chloro-3-methoxycarbonylphenyl)boronic acid.

What is the InChIKey of 4-Chloro-3-(methoxycarbonyl)phenylboronic acid?

The InChIKey is YEPWHDGFBVDINZ-UHFFFAOYSA-N.

How many hydrogen bond donor count does 4-Chloro-3-(methoxycarbonyl)phenylboronic acid have?

It has 2 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of 4-Chloro-3-(methoxycarbonyl)phenylboronic acid?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-Chloro-3-(methoxycarbonyl)phenylboronic acid?

The topological polar surface area is 66.8Ų.

How many defined bond stereocenter counts does 4-Chloro-3-(methoxycarbonyl)phenylboronic acid have?

It has 0 defined bond stereocenter counts.

Is 4-Chloro-3-(methoxycarbonyl)phenylboronic acid canonicalized?

Yes, it is canonicalized.

What is the CAS number of 4-Chloro-3-(methoxycarbonyl)phenylboronic acid?

The CAS number is 874219-45-1.

Synthetic Use

Downstream Synthesis Route 1

• 19755-53-4
• 874219-45-1

• 1143025-92-6

Reference: [1]Patent: WO2009/47558,2009,A1 .Location in patent: Page/Page column 168

Downstream Synthesis Route 2

• 874219-45-1
• 4595-60-2

• 1143024-54-7

Reference: [1]Patent: WO2009/47558,2009,A1 .Location in patent: Page/Page column 138

* For details of the synthesis route, please refer to the original source to ensure accuracy.