1-Acetyl-1H-indazole-6-boronic acid, pinacol ester

Product Information

Molecular Formula:
C15H19BN2O3
Molecular Weight:
286.13
Description
1-Acetyl-1H-indazole-6-boronic acid, pinacol ester is a specialized compound used primarily in biomedical research. It contributes to the synthesis of various inhibitors and contributes to cancer treatment research.
Synonyms
1256359-07-5; 1-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl)ethanone; 1-ACETYL-1H-INDAZOLE-6-BORONIC ACID, PINACOL ESTER; 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethanone; 1-Acetyl-1H-indazole-6-boronic acid pinacol ester; 1-Acetyl-1H-indazole-6-boronic acid, pinacol ester; 1-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl)ethan-1-one; 1-[6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl]ethan-1-one; DTXSID00671335; MFCD12032487; AKOS015943359; ZINC169746342; BS-19881; CS-0173842; EN300-212718; F73448; 1-Acetyl-1H-indazole-6-boronic acid,pinacol ester; Z2044788224; 1-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl]ethan-1-one;
IUPAC Name
1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethanone
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=NN3C(=O)C
InChI
InChI=1S/C15H19BN2O3/c1-10(19)18-13-8-12(7-6-11(13)9-17-18)16-20-14(2,3)15(4,5)21-16/h6-9H,1-5H3
InChI Key
JWJAPNZXZJVGAJ-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H301
Precautionary Statement
P301 + P310

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
286.1488726 g/mol
Monoisotopic Mass
286.1488726 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
425
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
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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