4-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid

• CAS: 1072946-41-8
• Catalog Number: ACM1072946418
• Category: Other Products; Boronic Acids
• Molecular Weight: 230.0
• Molecular Formula: C9H9BF2O4
• Synonyms: 4-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid, 1072946-41-8, ACMC-2098s3, CTK4A5255, ANW-15649, AKOS015855720, AG-D-22502, AK-61419, KB-33450, A-4571, I04-2956, 4-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid,
• IUPAC Name: [4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]boronic acid
• Canonical SMILES: B(C1=C(C=C(C=C1F)C2OCCO2)F)(O)O
• InChI Key: GTBJZTQCEQYQLQ-UHFFFAOYSA-N
• Exact Mass: 230.05600
• H-Bond Acceptor: 6
• H-Bond Donor: 2

Custom Reviews

May 23, 2023

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A useful bacteriostatic agent.
At the concentration of 100ug/mL, 4-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid has 100% bacteriostatic effect on six plant pathogenic fungi.

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C9H9BF2O4.

What is the molecular weight of the compound?

The molecular weight of the compound is 229.98 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H9BF2O4/c11-6-3-5(9-15-1-2-16-9)4-7(12) 8(6)10(13)14/h3-4,9,13-14H,1-2H2.

What is the InChIKey of the compound?

The InChIKey of the compound is GTBJZTQCEQYQLQ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=C(C=C(C=C1F)C2OCCO2)F)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 1072946-41-8.

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 6 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.