4-(Trifluoromethyl)phenylboronic acid

• Catalog Number: ACM128796394
• Product Name: 4-(Trifluoromethyl)phenylboronic acid
• CAS: 128796-39-4
• Category: Boronic Acids
• Synonyms: P-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;RARECHEM AH PB 0095;4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;4-(TRIFLUOROMETHYL)BENZENEBORONIC ACID;ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUENEBORONIC ACID;ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLYLBORONIC ACID;AKOS BRN-0049;α,α,α-Tr
• IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid
• Molecular Weight: 189.93g/mol
• Molecular Formula: C7H6BF3O2
• Canonical SMILES: B(C1=CC=C(C=C1)C(F)(F)F)(O)O
• InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
• InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N
• Complexity: 164
• Covalently-Bonded Unit Count: 1
• Exact Mass: 190.041294g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 190.041294g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 4-(Trifluoromethyl)phenylboronic acid?

The molecular formula of 4-(Trifluoromethyl)phenylboronic acid is C7H6BF3O2.

What is the molecular weight of 4-(Trifluoromethyl)phenylboronic acid?

The molecular weight of 4-(Trifluoromethyl)phenylboronic acid is 189.93 g/mol.

What is the IUPAC name of 4-(Trifluoromethyl)phenylboronic acid?

The IUPAC name of 4-(Trifluoromethyl)phenylboronic acid is [4-(trifluoromethyl)phenyl]boronic acid.

What is the InChI of 4-(Trifluoromethyl)phenylboronic acid?

The InChI of 4-(Trifluoromethyl)phenylboronic acid is InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H.

What is the InChIKey of 4-(Trifluoromethyl)phenylboronic acid?

The InChIKey of 4-(Trifluoromethyl)phenylboronic acid is ALMFIOZYDASRRC-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Trifluoromethyl)phenylboronic acid?

The canonical SMILES of 4-(Trifluoromethyl)phenylboronic acid is B(C1=CC=C(C=C1)C(F)(F)F)(O)O.

What is the CAS number of 4-(Trifluoromethyl)phenylboronic acid?

The CAS number of 4-(Trifluoromethyl)phenylboronic acid is 128796-39-4.

What is the ChEMBL ID of 4-(Trifluoromethyl)phenylboronic acid?

The ChEMBL ID of 4-(Trifluoromethyl)phenylboronic acid is CHEMBL143654.

Is 4-(Trifluoromethyl)phenylboronic acid a canonicalized compound?

Yes, 4-(Trifluoromethyl)phenylboronic acid is a canonicalized compound according to PubChem.