(4-(3-(Naphthalen-1-yl)ureido)phenyl)boronic acid

• CAS: 942610-02-8
• Catalog Number: ACM942610028
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of the compound with PubChem CID 91667124?

The molecular formula is C23H25BN2O3.

What is the molecular weight of the compound?

The molecular weight is 388.3 g/mol.

What is the IUPAC name of the compound?

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

What is the InChI of the compound?

The InChI is InChI=1S/C23H25BN2O3/c1-22(2)23(3,4)29-24(28-22)17-12-14-18(15-13-17)25-21(27)26-20-11-7-9-16-8-5-6-10-19(16)20/h5-15H,1-4H3,(H2,25,26,27).

What is the InChIKey of the compound?

The InChIKey is GUSIZHPDHAVXFO-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 59.6 Ų.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.