2-Carboxy-4-chlorobenzeneboronic acid

Inquiry

Molecular Formula:

C7H6BClO4

Molecular Weight:

200.38

Product Information

Molecular Formula:

C7H6BClO4

Molecular Weight:

200.38

Description

2-Carboxy-4-chlorobenzeneboronic acid is a biomedical compound mostly used in drug synthesis. Particularly significant in the creation of pharmaceuticals treating cancers and metabolic disorders. Its chemical properties allow for selective bonding, aiding targeted therapy.

Synonyms

2-borono-5-chlorobenzoic acid; 5-chloro-2-(dihydroxyboranyl)benzoic acid; 2-Borono-5-chlorobenzoicacid; 2-Carboxy-4-chlorobenzeneboronic acid; (2-Carboxy-4-chloro)benzeneboronic acid; AS-55277; 5-chloranyl-2-(dihydroxyboranyl)benzoic acid

IUPAC Name

2-borono-5-chlorobenzoic acid

Canonical SMILES

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

InChI

InChI=1S/C7H6BClO4/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,12-13H,(H,10,11)

InChI Key

RENDEFHQQIYNJL-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H302 - H318

Precautionary Statement

P280 - P301 + P312 + P330 - P305 + P351 + P338 + P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

200.0047665 g/mol

Monoisotopic Mass

200.0047665 g/mol

Topological Polar Surface Area

77.8Å²

Heavy Atom Count

Formal Charge

Complexity

199

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2-Carboxy-4-chlorobenzeneboronic acid

Product Information

Safety Information

Computed Properties

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