1H-Indazole-5-boronic acid hydrochloride
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
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 |
