3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester

• CAS: 1073354-74-1
• Catalog Number: ACM1073354741-1
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

The molecular formula is C17H25BFNO3.

What is the IUPAC name of 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

The IUPAC name is 4-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine.

What is the InChI of 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

The InChI is InChI=1S/C17H25BFNO3/c1-16(2)17(3,4)23-18(22-16)14-6-5-13(15(19)11-14)12-20-7-9-21-10-8-20/h5-6,11H,7-10,12H2,1-4H3.

What is the InChIKey of 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

The InChIKey is QINFDPZSZHPUSC-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CN3CCOCC3)F.

What is the CAS number of 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

The CAS number is 1073354-74-1.

What is the molecular weight of 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

The molecular weight is 321.2 g/mol.

How many hydrogen bond donor counts are there in 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

There are 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

There are 5 hydrogen bond acceptor counts.

How many rotatable bond counts are there in 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester?

There are 3 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 338454-98-1
• 73183-34-3

• 1073354-74-1

Reference: [1]Current Patent Assignee: HAN DOK INC.; KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY - US2015/259350, 2015, A1
Location in patent: Paragraph 0173; 0174