1H-Indazole-5-boronic acid hydrochloride

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Product Information

Molecular Formula:
C7H8BClN2O2
Molecular Weight:
198.41
Description
1H-Indazole-5-boronic acid hydrochloride is an important synthesis intermediate used in biochemical research. Prominently, it is utilized in the development of medical agents to treat cancer and cardiovascular disorders due to its potent antiproliferative activities.
Synonyms
Indazole-5-boronic acid hydrochloride; Indazole-5-boronic acid, HCl; 1H-indazol-5-ylboronic acid; hydrochloride; (1H-Indazol-5-yl)boronic acid hydrochloride; (1H-Indazol-5-yl)boronicacidhydrochloride; DS-016141; CS-0175032; 1H-Indazol-5-ylboronic acid--hydrogen chloride (1/1)
IUPAC Name
1H-indazol-5-ylboronic acidhydrochloride
Canonical SMILES
B(C1=CC2=C(C=C1)NN=C2)(O)O.Cl
InChI
InChI=1S/C7H7BN2O2.ClH/c11-8(12)6-1-2-7-5(3-6)4-9-10-7/h1-4,11-12H,(H,9,10)1H
InChI Key
DQTQZKIAQNCGLW-UHFFFAOYSA-N
Melting Point
154-166 °C
Flash Point
Not applicable
Storage
2-8°C

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
198.0367354 g/mol
Monoisotopic Mass
198.0367354 g/mol
Topological Polar Surface Area
69.1Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
168
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
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2011127933-A1 Bi-functional complexes and methods for making and using such complexes 2010-04-16
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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