2-Hydroxymethyl-5-(trifluoromethyl)phenylboronic acid

• CAS: 174671-50-2
• Catalog Number: ACM174671502-1
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C8H8BF3O3.

What are the synonyms of the compound?

The synonyms are 2-HYDROXYMETHYL-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, (2-(Hydroxymethyl)-5-(trifluoromethyl)phenyl)boronic acid, 2121513-82-2, [2-(hydroxymethyl)-5-(trifluoromethyl)phenyl]boronic acid, and Boronic acid, B-[2-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-.

What is the molecular weight of the compound?

The molecular weight is 219.96 g/mol.

When was the compound created and last modified?

The compound was created on October 30, 2011, and last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name is [2-(hydroxymethyl)-5-(trifluoromethyl)phenyl]boronic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C8H8BF3O3/c10-8(11,12)6-2-1-5(4-13)7(3-6)9(14)15/h1-3,13-15H,4H2.

What is the InChIKey of the compound?

The InChIKey is CNGXBTLEDCBQAY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B(C1=C(C=CC(=C1)C(F)(F)F)CO)(O)O.

What is the CAS number of the compound?

The CAS number is 2121513-82-2.

What is the formal charge of the compound?

The formal charge is 0.