5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID

Name: 5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID
Brand: BOC Sciences
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Molecular Formula:

C9H12BClO3

Molecular Weight:

214.45

CAS Number:

352534-87-3

Catalog Number:

352534-87-3

Product Information

Molecular Formula:

C9H12BClO3

Molecular Weight:

214.45

Description

5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID is a pivotal compound in the field of biomedicine. Functioning as a pivotal stepping stone in the intricate synthesis of pharmaceutical agents targeting afflictions like cancer, diabetes, and cardiovascular disorders, this compound's allure lies in its idiosyncratic attributes. Exerting a momentous influence on the advancement of pioneering therapies and the enhancement of patient well-being, it emerges as an indispensable catalyst in propelling the frontiers of biomedical exploration.

Synonyms

(5-chloro-2-propan-2-yloxyphenyl)boronic acid; 5-CHLORO-2-ISOPROPOXYPHENYLBORONICACID; (5-Chloro-2-isopropoxyphenyl)boronicacid; {5-Chloro-2-[(propan-2-yl)oxy]phenyl}boronic acid; [5-CHLORO-2-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID

IUPAC Name

(5-chloro-2-propan-2-yloxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C9H12BClO3/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6,12-13H,1-2H3

InChI Key

FGRYIHCKXSSLGB-UHFFFAOYSA-N

Melting Point

98-103 °C (lit.)

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

214.0568021 g/mol

Monoisotopic Mass

214.0568021 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

177

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

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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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5-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID

Product Information

Computed Properties

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