Benzoicacid, 3-borono-5-bromo-

Inquiry

Molecular Formula:

C7H6 B Br O4

Molecular Weight:

244.83514

CAS Number:

913835-73-1

Catalog Number:

913835-73-1

Product Information

Molecular Formula:

C7H6 B Br O4

Molecular Weight:

244.83514

Description

Benzoicacid, 3-borono-5-bromo- demonstrates sheer indispensability in the biomedical industry as a pivotal catalyst for synthesizing a wide range of pharmaceutical drugs. Its unparalleled and distinctive borono and bromo functionalities bestow it with remarkable medicinal attributes, rendering it an exceptional reactant in pioneering therapeutic explorations. By encompassing a key role in combating multifaceted afflictions including cancers, bacterial and fungal infections, as well as inflammatory disorders, this compound exhibits unfathomable versatility and promising prospects.

Synonyms

3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97; 3-BROMO-5-CARBOXYBENZENEBORONIC ACID; 3-BROMO-5-CARBOXYPHENYLBORONIC ACID; 3-Bromo-5-carboxybenzeneboronic acid 97%; 3-Borono-5-bromobenzoic acid

IUPAC Name

3-borono-5-bromobenzoic acid

Canonical SMILES

B(C1=CC(=CC(=C1)Br)C(=O)O)(O)O

InChI

InChI=1S/C7H6BBrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)

InChI Key

CWBLIPMCDMSOFX-UHFFFAOYSA-N

Melting Point

152-158 °C

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

243.95425 g/mol

Monoisotopic Mass

243.95425 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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Benzoicacid, 3-borono-5-bromo-

Product Information

Computed Properties

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