3-Ethoxy-4-fluorobenzeneboronic acid

• Catalog Number: ACM900174654
• Product Name: 3-Ethoxy-4-fluorobenzeneboronic acid
• CAS: 900174-65-4
• Category: Boronic Acids
• Synonyms: 3-ETHOXY-4-FLUOROPHENYLBORONIC ACID, 900174-65-4, SBB071244, AG-H-68168, ACMC-209r4i, 5-Borono-2-fluorophenetole, SureCN2850890, CTK5G7285, MolPort-001-776-946, 3-Ethoxy-4-fluorobenzeneboronic acid, ANW-39424, 3-Ethoxy-4-fluorophenylboronic acid,, (3-ethoxy-4-fluorophenyl)boronic acid, AKOS006221617, RL05658, AK-40457, KB-31575, (3-ethoxy-4-fluoranyl-phenyl)boronic acid, FT-0653152, V1858
• IUPAC Name: (3-ethoxy-4-fluorophenyl)boronic acid
• Molecular Weight: 183.9726032
• Molecular Formula: C₈H₁₀BFO₃
• Canonical SMILES: B(C1=CC(=C(C=C1)F)OCC)(O)O
• InChI Key: IGAMLTGCYDPORS-UHFFFAOYSA-N
• Exact Mass: 184.07100
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C8H10BFO3.

What is the molecular weight of the compound?

The molecular weight is 183.97 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (3-ethoxy-4-fluorophenyl)boronic acid.

What is the CAS number of the compound?

The CAS number is 900174-65-4.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 49.7Ų.

How many heavy atoms are present in the compound?

There are 13 heavy atoms in the compound.

Is the compound's canonical SMILES B(C1=CC(=C(C=C1)F)OCC)(O)O?

Yes, the compound's canonical SMILES is B(C1=CC(=C(C=C1)F)OCC)(O)O.