1-Methyl-1H-indazole-6-boronic Acid

Product Information

Molecular Formula:
C8H9N2O2B
Molecular Weight:
175.98
Description
1-Methyl-1H-indazole-6-boronic Acid (CAS# 1150114-80-9) is a useful research chemical.
Synonyms
(1-methyl-6-indazolyl)boronic acid; (1-methylindazol-6-yl)boronic acid
IUPAC Name
(1-methylindazol-6-yl)boronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)C=NN2C)(O)O
InChI
InChI=1S/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3
InChI Key
OMVQAWCHQBKZCF-UHFFFAOYSA-N
Boiling Point
397.5 °C at 760 mmHg
Melting Point
277-283 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.27 g/cm3
Appearance
Solid
Storage
2-8 °C
LogP
-0.74690

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
176.0757077 g/mol
Monoisotopic Mass
176.0757077 g/mol
Topological Polar Surface Area
58.3Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
191
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-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION 2020-06-22
WO-2021216757-A1 Rna-binding protein multimerization inhibitors and methods of use thereof 2020-04-21
WO-2021152149-A1 Ras inhibitors and methods of using the same 2020-01-31
JP-2020193176-A New biaryl derivatives and their pharmaceutical applications 2019-05-30
JP-2019182784-A Dihydropyrazolopyrazinone derivatives 2018-04-10
KR-20190113598-A 2-cyanopyrimidin-4-yl carbamate or urea derivative or its salt and pharmaceutical composition comprising the same 2018-03-28
WO-2019190117-A1 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same 2018-03-28
AU-2019243099-A1 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same 2018-03-28
CA-3093546-A1 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same 2018-03-28
EP-3778576-A1 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same 2018-03-28
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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