2-Methyl-5-trifluoromethyl-phenylboronic acid

• Catalog Number: ACM947533962
• Product Name: 2-Methyl-5-trifluoromethyl-phenylboronic acid
• CAS: 947533-96-2
• Category: Boronic Acids
• Synonyms: 947533-96-2, 2-Methyl-5-(trifluoromethyl)phenylboronic acid, 2-METHYL-5-TRIFLUOROMETHYL-PHENYLBORONIC ACID, AG-H-90976, [2-methyl-5-(trifluoromethyl)phenyl]boronic acid, ACMC-209rtr, SureCN4841354, CTK5H7068, MolPort-004-968-716, ANW-40333, SBB071220, AKOS015842294, RP26051, AK-40463, KB-25417, FT-0653935, 2-Methyl-5-trifluoromethyl-phenylboronic acid,, B-4998, 2-Methyl-5-(trifluoromethyl)phenyl boronic acid, A845086
• IUPAC Name: [2-methyl-5-(trifluoromethyl)phenyl]boronic acid
• Molecular Weight: 203.9541296
• Molecular Formula: C8H8BF3O2
• Canonical SMILES: B(C1=C(C=CC(=C1)C(F)(F)F)C)(O)O
• InChI Key: WFARXIDYQNIXLI-UHFFFAOYSA-N
• Boiling Point: 287ºC at 760 mmHg
• Flash Point: 127.4ºC
• Density: 1.31g/cm³
• Exact Mass: 204.05700
• H-Bond Acceptor: 5
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 2-Methyl-5-trifluoromethyl-phenylboronic acid?

The molecular formula is C8H8BF3O2.

What is the molecular weight of 2-Methyl-5-trifluoromethyl-phenylboronic acid?

The molecular weight is 203.96 g/mol.

What is the IUPAC name of 2-Methyl-5-trifluoromethyl-phenylboronic acid?

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

What is the InChI of 2-Methyl-5-trifluoromethyl-phenylboronic acid?

The InChI is InChI=1S/C8H8BF3O2/c1-5-2-3-6(8(10,11)12)4-7(5)9(13)14/h2-4,13-14H,1H3.

What is the InChIKey of 2-Methyl-5-trifluoromethyl-phenylboronic acid?

The InChIKey is WFARXIDYQNIXLI-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Methyl-5-trifluoromethyl-phenylboronic acid?

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

What is the CAS number of 2-Methyl-5-trifluoromethyl-phenylboronic acid?

The CAS number is 947533-96-2.

How many hydrogen bond donor sites does 2-Methyl-5-trifluoromethyl-phenylboronic acid have?

It has 2 hydrogen bond donor sites.

How many hydrogen bond acceptor sites does 2-Methyl-5-trifluoromethyl-phenylboronic acid have?

It has 5 hydrogen bond acceptor sites.

How many rotatable bonds does 2-Methyl-5-trifluoromethyl-phenylboronic acid have?

It has 1 rotatable bond.