4-Amino-2-chlorophenylboronic acid, pinacol ester

• CAS: 877160-63-9
• Catalog Number: ACM877160639-1
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of 4-Amino-2-chlorophenylboronic acid, pinacol ester?

The molecular formula is C12H17BClNO2.

When was the compound created and last modified?

The compound was created on 2010-03-14 and last modified on 2023-12-02.

What is the IUPAC name of 4-Amino-2-chlorophenylboronic acid, pinacol ester?

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

What is the Canonical SMILES of the compound?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N)Cl.

What is the InChIKey of 4-Amino-2-chlorophenylboronic acid, pinacol ester?

The InChIKey is YKQXROMICPMQBZ-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-Amino-2-chlorophenylboronic acid, pinacol ester?

The topological polar surface area is 44.5Ų.

Does the compound have any defined atom stereocenter count?

No, the compound does not have any defined atom stereocenter count.

How many rotatable bond counts does the compound have?

The compound has 1 rotatable bond count.

Is the compound canonicalized?

Yes, the compound is canonicalized.