1H-Indazole-5-boronic Acid Pinacol Ester

Product Information

Molecular Formula:
C13H17N2O2B
Molecular Weight:
244.10
Description
1H-Indazole-5-boronic Acid Pinacol Ester (CAS# 862723-42-0) is a useful research chemical.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11/h5-8H,1-4H3,(H,15,16)
InChI Key
SAGPUUKLGWNGOS-UHFFFAOYSA-N
Boiling Point
404.123 °C at 760 mmHg
Flash Point
Not applicable
Purity
95 %
Density
1.154 g/cm3
Appearance
White to tan crystalline powder
LogP
1.86210

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
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
244.1383080 g/mol
Monoisotopic Mass
244.1383080 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
319
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
CN-113264937-A 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof 2021-06-08
WO-2022026892-A1 Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers 2020-07-31
WO-2021263129-A1 Kinase inhibitor compounds and compositions and methods of use 2020-06-26
WO-2021244430-A1 Compounds and their uses as spleen tyrosine kinase inhibitors 2020-06-01
WO-2021194326-A1 Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators 2020-03-27
EP-3825322-A1 Polypeptide compound, pharmaceutical composition, preparation method and application thereof 2019-11-12
US-2021139537-A1 Polypeptide compound, pharmaceutical composition, preparation method and application thereof 2019-11-12
WO-2021093695-A1 Polypeptide compound, pharmaceutical composition, preparation method and application thereof 2019-11-12
WO-2021088859-A1 Indazole compound, pharmaceutical composition of same, and applications thereof 2019-11-06
CN-114072387-A Indazole compound and medicinal composition and application thereof 2019-11-06
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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