5-Fluoro-2-methoxyphenylboronic acid

• Catalog Number: ACM179897940
• Product Name: 5-Fluoro-2-methoxyphenylboronic acid
• CAS: 179897-94-0
• Category: Boronic Acids
• Synonyms: RARECHEM AH PB 0134;AKOS BRN-0214;5-FLUORO-2-METHOXYBENZENEBORONIC ACID;5-FLUORO-2-METHOXYPHENYLBORONIC ACID;3-FLUORO-6-METHOXYBENZENEBORONIC ACID;2-METHOXY-5-FLUOROBENZENEBORONIC ACID;2-METHOXY-5-FLUOROPHENYLBORONIC ACID;CHEMBRDG-BB 4202998
• IUPAC Name: (5-fluoro-2-methoxyphenyl)boronic acid
• Molecular Weight: 169.95g/mol
• Molecular Formula: C7H8BFO3
• Canonical SMILES: B(C1=C(C=CC(=C1)F)OC)(O)O
• InChI: InChI=1S/C7H8BFO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
• InChI Key: CCQKIRUMTHHPSX-UHFFFAOYSA-N
• Complexity: 145
• Covalently-Bonded Unit Count: 1
• Exact Mass: 170.055052g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 170.055052g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 5-Fluoro-2-methoxyphenylboronic acid?

The molecular formula is C7H8BFO3.

What is the molecular weight of 5-Fluoro-2-methoxyphenylboronic acid?

The molecular weight is 169.95 g/mol.

What is the IUPAC name of 5-Fluoro-2-methoxyphenylboronic acid?

The IUPAC name is (5-fluoro-2-methoxyphenyl)boronic acid.

What is the InChI of 5-Fluoro-2-methoxyphenylboronic acid?

The InChI is InChI=1S/C7H8BFO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3.

What is the InChIKey of 5-Fluoro-2-methoxyphenylboronic acid?

The InChIKey is CCQKIRUMTHHPSX-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 5-Fluoro-2-methoxyphenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-Fluoro-2-methoxyphenylboronic acid have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 5-Fluoro-2-methoxyphenylboronic acid?

The topological polar surface area is 49.7Ų.

How many heavy atoms does 5-Fluoro-2-methoxyphenylboronic acid have?

It has 12 heavy atoms.

Is 5-Fluoro-2-methoxyphenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.