2-(Methylsulfonyl)phenylboronic acid

• CAS: 330804-03-0
• Catalog Number: ACM330804030
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of 2-(Methylsulfonyl)phenylboronic acid?

The molecular formula of 2-(Methylsulfonyl)phenylboronic acid is C7H9BO4S.

What is the molecular weight of 2-(Methylsulfonyl)phenylboronic acid?

The molecular weight of 2-(Methylsulfonyl)phenylboronic acid is 200.02 g/mol.

What is the IUPAC name of 2-(Methylsulfonyl)phenylboronic acid?

The IUPAC name of 2-(Methylsulfonyl)phenylboronic acid is (2-methylsulfonylphenyl)boronic acid.

What is the InChIKey of 2-(Methylsulfonyl)phenylboronic acid?

The InChIKey of 2-(Methylsulfonyl)phenylboronic acid is MSQFFCRGQPVQRS-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(Methylsulfonyl)phenylboronic acid?

The canonical SMILES of 2-(Methylsulfonyl)phenylboronic acid is B(C1=CC=CC=C1S(=O)(=O)C)(O)O.

What is the exact mass of 2-(Methylsulfonyl)phenylboronic acid?

The exact mass of 2-(Methylsulfonyl)phenylboronic acid is 200.0314601 g/mol.

How many hydrogen bond donor counts are there in 2-(Methylsulfonyl)phenylboronic acid?

There are 2 hydrogen bond donor counts in 2-(Methylsulfonyl)phenylboronic acid.

How many hydrogen bond acceptor counts are there in 2-(Methylsulfonyl)phenylboronic acid?

There are 4 hydrogen bond acceptor counts in 2-(Methylsulfonyl)phenylboronic acid.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the topological polar surface area of 2-(Methylsulfonyl)phenylboronic acid?

The topological polar surface area of 2-(Methylsulfonyl)phenylboronic acid is 83Ų.

Synthetic Use

Downstream Synthesis Route 1

• 1693766-13-0
• 330804-03-0

• 1619994-68-1

Reference: [1]Chen, Peiling; Chaikuad, Apirat; Bamborough, Paul; Bantscheff, Marcus; Bountra, Chas; Chung, Chun-Wa; Fedorov, Oleg; Grandi, Paola; Jung, David; Lesniak, Robert; Lindon, Matthew; Müller, Susanne; Philpott, Martin; Prinjha, Rab; Rogers, Catherine; Selenski, Carolyn; Tallant, Cynthia; Werner, Thilo; Willson, Timothy M.; Knapp, Stefan; Drewry, David H.
[Journal of Medicinal Chemistry, 2016, vol. 59, # 4, p. 1410 - 1424]

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