1H-Indazole-7-boronic acid pinacol ester

• CAS: 915411-02-8
• Catalog Number: ACM915411028
• Category: Boronic Esters
• Molecular Weight: 244.0995
• Molecular Formula: C13H17BN2O2
• Synonyms: 1H-Indazole-7-boronic acid pinacol ester
• IUPAC Name: 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=NN3
• InChI Key: KZRYMNAPWVDMDN-UHFFFAOYSA-N
• Boiling Point: 404.123ºC at 760 mmHg
• Flash Point: 198.207ºC
• Density: 1.154 g/cm³
• Exact Mass: 244.13800
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• MDL Number: MFCD08059264
• Size: 1g,5g,25g

Custom Q&A

What is the molecular formula of 1H-indazole-7-boronic acid pinacol ester?

The molecular formula of 1H-indazole-7-boronic acid pinacol ester is C13H17BN2O2.

What is the molecular weight of 1H-indazole-7-boronic acid pinacol ester?

The molecular weight of 1H-indazole-7-boronic acid pinacol ester is 244.10 g/mol.

What is the IUPAC name of 1H-indazole-7-boronic acid pinacol ester?

The IUPAC name of 1H-indazole-7-boronic acid pinacol ester is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

What is the InChI of 1H-indazole-7-boronic acid pinacol ester?

The InChI of 1H-indazole-7-boronic acid pinacol ester is InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9-8-15-16-11(9)10/h5-8H,1-4H3,(H,15,16).

What is the InChIKey of 1H-indazole-7-boronic acid pinacol ester?

The InChIKey of 1H-indazole-7-boronic acid pinacol ester is KZRYMNAPWVDMDN-UHFFFAOYSA-N.

What is the CAS number of 1H-indazole-7-boronic acid pinacol ester?

The CAS number of 1H-indazole-7-boronic acid pinacol ester is 915411-02-8.

What is the EC number of 1H-indazole-7-boronic acid pinacol ester?

The EC number of 1H-indazole-7-boronic acid pinacol ester is 807-735-3.

What is the hydrogen bond donor count of 1H-indazole-7-boronic acid pinacol ester?

The hydrogen bond donor count of 1H-indazole-7-boronic acid pinacol ester is 1.

What is the hydrogen bond acceptor count of 1H-indazole-7-boronic acid pinacol ester?

The hydrogen bond acceptor count of 1H-indazole-7-boronic acid pinacol ester is 3.

Is 1H-indazole-7-boronic acid pinacol ester a canonicalized compound?

Yes, 1H-indazole-7-boronic acid pinacol ester is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 73183-34-3
• 186407-74-9

• 915411-02-8

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - WO2006/46031, 2006, A1
Location in patent: Page/Page column 33-35

Downstream Synthesis Route 1

• 915411-02-8
• 885618-31-5

• 885618-38-2

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - WO2006/46031, 2006, A1
Location in patent: Page/Page column 35-36

* For details of the synthesis route, please refer to the original source to ensure accuracy.