3-Bromo-5-butoxyphenylboronic acid

Inquiry

Molecular Formula:

C10H14BBrO3

Molecular Weight:

272.9

CAS Number:

1072951-84-8

Catalog Number:

1072951-84-8

Product Information

Molecular Formula:

C10H14BBrO3

Molecular Weight:

272.9

Description

3-Bromo-5-butoxyphenylboronic acid is a biomedical compound commonly used in research and drug development. It acts as a boronic acid derivative, exhibiting potential inhibitory effects against specific enzymes and proteins involved in various diseases, including cancer. This compound is valuable for designing targeted therapies and developing novel pharmaceuticals to treat specific drug-resistant tumors or other diseases.

Synonyms

(3-bromo-5-butoxyphenyl)boronicacid; 3-Bromo-5-butoxyphenylboronicacid; 1072951-84-8; (3-Bromo-5-butoxyphenyl)boronicacid; ACMC-2098tr; 661961_ALDRICH

IUPAC Name

(3-bromo-5-butoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C10H14BBrO3/c1-2-3-4-15-10-6-8(11(13)14)5-9(12)7-10/h5-7,13-14H,2-4H2,1H3

InChI Key

OWWZXOTWNAQSTF-UHFFFAOYSA-N

Melting Point

116-123 °C

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

272.02194 g/mol

Monoisotopic Mass

272.02194 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

180

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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3-Bromo-5-butoxyphenylboronic acid

Product Information

Computed Properties

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