3-Fluoro-5-isobutoxybenzeneboronic acid

• CAS: 850589-57-0
• Catalog Number: ACM850589570
• Category: Boronic Acids
• Molecular Weight: 212.03
• Molecular Formula: C₁₀H₁₄BFO₃
• Synonyms: 3-FLUORO-5-ISOBUTOXYPHENYLBORONIC ACID, 850589-57-0, SBB071247, AG-H-41347, ACMC-209q3f, CTK5F4012, MolPort-001-772-749, ACT11026, ANW-38089, AKOS015853163, AB30758, RL05257, 3-Fluoro-5-isobutoxyphenylboronic acid,, AK-46105, KB-31890, 3-Fluoro-5-(isobutyloxy)phenylboronic acid, FT-0686868, V1865, 3-fluoro-5-(2-methylpropoxy)phenylboronic acid, 3-FLUORO-5-ISOBUTOXYBENZENEBORONIC ACID
• IUPAC Name: [3-fluoro-5-(2-methylpropoxy)phenyl]boronic acid
• Canonical SMILES: B(C1=CC(=CC(=C1)F)OCC(C)C)(O)O
• InChI Key: KLKWZMKGTIQLOG-UHFFFAOYSA-N
• Boiling Point: 334.9ºC at 760 mmHg
• Melting Point: 130-134ºC
• Flash Point: 156.4ºC
• Density: 1.15g/cm³
• Exact Mass: 212.10200
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 3-Fluoro-5-isobutoxybenzeneboronic acid?

The molecular formula is C10H14BFO3.

What is the molecular weight of 3-Fluoro-5-isobutoxybenzeneboronic acid?

The molecular weight is 212.03 g/mol.

What is the CAS number of 3-Fluoro-5-isobutoxybenzeneboronic acid?

The CAS number is 850589-57-0.

What is the IUPAC name of 3-Fluoro-5-isobutoxybenzeneboronic acid?

The IUPAC name is [3-fluoro-5-(2-methylpropoxy)phenyl]boronic acid.

What is the InChI key of 3-Fluoro-5-isobutoxybenzeneboronic acid?

The InChI key is KLKWZMKGTIQLOG-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluoro-5-isobutoxybenzeneboronic acid?

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

How many hydrogen bond donor counts does 3-Fluoro-5-isobutoxybenzeneboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Fluoro-5-isobutoxybenzeneboronic acid have?

It has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does 3-Fluoro-5-isobutoxybenzeneboronic acid have?

It has 4 rotatable bond counts.

Is 3-Fluoro-5-isobutoxybenzeneboronic acid a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.