1-Methyl-1H-indazole-4-boronic acid pinacol ester

• Catalog Number: ACM885698942
• Product Name: 1-Methyl-1H-indazole-4-boronic acid pinacol ester
• CAS: 885698-94-2
• Category: Heterocyclic Organic Compound
• IUPAC Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• Molecular Weight: 258.13g/mol
• Molecular Formula: C14H19BN2O2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=NN(C3=CC=C2)C
• InChI: InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-7-6-8-12-10(11)9-16-17(12)5/h6-9H,1-5H3
• InChI Key: OZHFBNULPUBRJF-UHFFFAOYSA-N
• Complexity: 345
• Covalently-Bonded Unit Count: 1
• Exact Mass: 258.153958g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Monoisotopic Mass: 258.153958g/mol
• Rotatable Bond Count: 1

Custom Reviews

May 23, 2023

Work good in organic synthesis.

Through Suzuki coupling reaction, 1-Methyl-1H-indazole-4-boronic acid pinacol ester can prepare indazole compounds in high yield.

Custom Q&A

What is the molecular formula of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?

The molecular formula is C14H19BN2O2.

What is the molecular weight of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?

The molecular weight is 258.13 g/mol.

When was 1-Methyl-1H-indazole-4-boronic acid pinacol ester created?

It was created on June 3, 2010.

When was 1-Methyl-1H-indazole-4-boronic acid pinacol ester last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?

The IUPAC name is 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the InChI of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?

The InChI is InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-7-6-8-12-10(11)9-16-17(12)5/h6-9H,1-5H3.

What is the InChIKey of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?

The InChIKey is OZHFBNULPUBRJF-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=C3C=NN(C3=CC=C2)C.

What is the CAS number of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?

The CAS number is 885698-94-2.

Is 1-Methyl-1H-indazole-4-boronic acid pinacol ester considered a canonicalized compound?

Yes, it is considered a canonicalized compound.