1H-Indazole-6-boronic Acid

Product Information

Molecular Formula:
C7H7BN2O2
Molecular Weight:
161.95
Description
It is commonly used in the preparation of reactants such as dicyclic hydroxybenzophenone derivatives as hydroxysteroid dehydrogenase inhibitors.
Synonyms
6-Indazolyboronic acid; 1H-Indazol-6-yl-6-boronic acid; (1H-indazol-6-yl)boronic acid; Indazole-6-boronic acid; Boronic acid, 1H-indazol-6-yl-; MFCD04972419; J-500188; (2H-indazol-6-yl)boronic acid; AMBA00083; CTK5G0023
IUPAC Name
1H-indazol-6-ylboronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)C=NN2)(O)O
InChI
InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10)
InChI Key
ZKNLCHWRWRYPGG-UHFFFAOYSA-N
Boiling Point
457.0±37.0 °C (Predicted)
Melting Point
112-117 °C
Flash Point
Not applicable
Purity
> 97 % (HPLC)
Density
1.420±0.10 g/cm3 (Predicted)
Appearance
White or quasi-white powder
Storage
2-8 °C
LogP
-0.75730

Safety Information

Hazards
H302
Precautionary Statement
P264, P270, P301+P312, P330, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
162.0600576 g/mol
Monoisotopic Mass
162.0600576 g/mol
Topological Polar Surface Area
69.1Ų
Heavy Atom Count
12
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
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2021244430-A1 Compounds and their uses as spleen tyrosine kinase inhibitors 2020-06-01
CN-111559990-A Micromolecular oxathiazine derivative and application thereof 2020-05-29
CN-111559990-B Micromolecular oxathiazine derivative and application thereof 2020-05-29
WO-2021238587-A1 Micromolecular oxathiazine derivative and use thereof 2020-05-29
CN-113549010-A Preparation and application of compound with AMPK agonistic activity and prodrug thereof 2020-04-26
WO-2021216757-A1 Rna-binding protein multimerization inhibitors and methods of use thereof 2020-04-21
WO-2021211974-A1 Hsd17b13 inhibitors and uses thereof 2020-04-18
CN-113087718-A Thienopyrimidinone compounds and medical application thereof 2020-01-09
US-2021171455-A1 Alpha-5 beta-1 inhibitors 2019-12-10
WO-2021119199-A1 Alpha-5 beta-1 inhibitors 2019-12-10
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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