2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester

CAS

1150561-75-3

Catalog Number

ACM1150561753

Category

Boronic Esters

MSDS COA Spec Sheet

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What is the molecular formula of 2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester?

The molecular formula is C18H28BNO4.

What is the molecular weight of 2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester?

The molecular weight is 333.2 g/mol.

What are some synonyms for 2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester?

Some synonyms include tert-Butyl (5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate and Carbamic acid, N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester.

What are the InChI and InChIKey for 2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester?

The InChI is InChI=1S/C18H28BNO4/c1-12-9-10-13(19-23-17(5,6)18(7,8)24-19)14(11-12)20-15(21)22-16(2,3)4/h9-11H,1-8H3,(H,20,21) and the InChIKey is WVTNHPZOSNRLET-UHFFFAOYSA-N.

How many hydrogen bond donor count does 2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester?

The topological polar surface area is 56.8Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many rotatable bond counts are there in 2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester?

There are 4 rotatable bond counts.

What is the exact mass of 2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester?

The exact mass is 333.2111385 g/mol.

What is the complexity value of 2-(Boc-amino)-4-methylphenylboronic acid, pinacol ester?

The complexity value is 456.