3-Fluoro-5-isopropoxybenzeneboronic acid

• CAS: 850589-54-7
• Catalog Number: ACM850589547
• Category: Boronic Acids
• Molecular Weight: 198
• Molecular Formula: C9H12O3BF
• Synonyms: 3-FLUORO-5-ISOPROPOXYPHENYLBORONIC ACID, 850589-54-7, SBB071248, AG-H-41344, 3-Fluoro-5-Isopropoxybenzeneboronic Acid, AC1Q1QNC, ACMC-209q3c, SureCN7703491, CTK5F4009, MolPort-001-772-750, ANW-38086, AKOS006222939, AB30755, RL05255, 3-Fluoro-5-isopropoxyphenylboronic acid,, AK-40446, KB-31891, Boronic acid,B-(3-fluoro-5-propoxyphenyl)-, FT-0656598, V1867
• IUPAC Name: (3-fluoro-5-propan-2-yloxyphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=CC(=C1)F)OC(C)C)(O)O
• InChI Key: HJJYROZZJOJOOW-UHFFFAOYSA-N
• Boiling Point: 321.5ºC at 760 mmHg
• Melting Point: 136-140ºC
• Flash Point: 148.2ºC
• Density: 1.17g/cm³
• Exact Mass: 198.08600
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

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

The molecular formula is C9H12BFO3.

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

The molecular weight is 198.00 g/mol.

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

The IUPAC name is (3-fluoro-5-propan-2-yloxyphenyl)boronic acid.

What is the InChI of 3-Fluoro-5-isopropoxybenzeneboronic acid?

The InChI is InChI=1S/C9H12BFO3/c1-6(2)14-9-4-7(10(12)13)3-8(11)5-9/h3-6,12-13H,1-2H3.

What is the InChIKey of 3-Fluoro-5-isopropoxybenzeneboronic acid?

The InChIKey is HJJYROZZJOJOOW-UHFFFAOYSA-N.

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

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

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

The CAS number is 850589-54-7.

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

It has 2 hydrogen bond donor counts.

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

It has 4 hydrogen bond acceptor counts.