2-butoxyphenylboronic acid

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Product Information

Molecular Formula:
C10H15O3B
Molecular Weight:
194.03
Description
• Potentially pharmacologically and biologically active inhibitor of hormone-sensitive lipase
Synonyms
2-BUTOXYPHENYLBORONIC ACID; AKOS BRN-0943; 2-Butoxyphenylbronic acid; 2-Butoxymethylboronic acid; 2-Butyloxyphenylboronic acid
IUPAC Name
(2-butoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC=CC=C1OCCCC)(O)O
InChI
InChI=1S/C10H15BO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChI Key
NNZPYUBZXKOFHS-UHFFFAOYSA-N
Boiling Point
351.8°C at 760 mmHg
Melting Point
69-73°C
Purity
95%
Density
1.08g/cm3

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
194.1114245 g/mol
Monoisotopic Mass
194.1114245 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
152
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-2020165249-A1 Functionalized heterocycles as antiviral agents 2018-11-21
WO-2020106816-A1 Functionalized heterocycles as antiviral agents 2018-11-21
TW-202033524-A Functionalized heterocycles as antiviral agents 2018-11-21
AU-2019385477-A1 Functionalized heterocycles as antiviral agents 2018-11-21
BR-112021009854-A2 heterocycles functionalized as antiviral agents 2018-11-21
CA-3119973-A1 Functionalized heterocycles as antiviral agents 2018-11-21
CN-113271946-A Functionalized heterocyclic compounds as antiviral agents 2018-11-21
EP-3883570-A1 Functionalized heterocycles as antiviral agents 2018-11-21
KR-20210093951-A Functionalized Heterocycles as Antiviral Agents 2018-11-21
JP-2022507724-A Functionalized heterocycle as an antiviral agent 2018-11-21

Literatures

PMID Publication Date Title Journal
21201464 2008-01-16 (2-Butoxy-phen-yl)boronic acid Acta crystallographica. Section E, Structure reports online
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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