2-Benzyloxy-5-trifluoromethylphenylboronic acid

• CAS: 612833-41-7
• Catalog Number: ACM612833417
• Category: Boronic Acids
• Molecular Weight: 296.05
• Molecular Formula: C₁₄H₁₂BF₃O₃
• Synonyms: 2-BENZYLOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID, 612833-41-7, 2-(benzyloxy)-5-(trifluoromethyl)phenylboronic acid, SureCN1950920, ACMC-1BF33, CTK2F1800, MolPort-000-931-660, ANW-33754, SBB065870, AKOS004119235, AB30101, AG-G-23155, AG-L-44381, RL04317, AK-84145, KB-20971, V1845, C-1732, 6-Benzyloxy-3-(trifluoromethyl)phenylboronic acid, A833143
• IUPAC Name: [2-phenylmethoxy-5-(trifluoromethyl)phenyl]boronic acid
• SMILES: B(C1=C(C=CC(=C1)C(F)(F)F)OCC2=CC=CC=C2)(O)O
• InChI Key: NWZHBEJEZSNEIF-UHFFFAOYSA-N
• Boiling Point: 434.875ºC at 760 mmHg
• Flash Point: 216.805ºC
• Density: 1.339 g/cm³
• Exact Mass: 296.08300
• H-Bond Acceptor: 6
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 2-Benzyloxy-5-trifluoromethylphenylboronic acid?

The molecular formula is C14H12BF3O3.

What is the molecular weight of 2-Benzyloxy-5-trifluoromethylphenylboronic acid?

The molecular weight is 296.05 g/mol.

What is the IUPAC name of 2-Benzyloxy-5-trifluoromethylphenylboronic acid?

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

What is the InChI of 2-Benzyloxy-5-trifluoromethylphenylboronic acid?

The InChI is InChI=1S/C14H12BF3O3/c16-14(17,18)11-6-7-13(12(8-11)15(19)20)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2.

What is the InChIKey of 2-Benzyloxy-5-trifluoromethylphenylboronic acid?

The InChIKey is NWZHBEJEZSNEIF-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Benzyloxy-5-trifluoromethylphenylboronic acid?

The canonical SMILES is B(C1=C(C=CC(=C1)C(F)(F)F)OCC2=CC=CC=C2)(O)O.

What is the CAS number of 2-Benzyloxy-5-trifluoromethylphenylboronic acid?

The CAS number is 612833-41-7.

What is the hydrogen bond donor count of 2-Benzyloxy-5-trifluoromethylphenylboronic acid?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of 2-Benzyloxy-5-trifluoromethylphenylboronic acid?

The hydrogen bond acceptor count is 6.

Is 2-Benzyloxy-5-trifluoromethylphenylboronic acid canonicalized?

Yes, it is canonicalized according to PubChem.