4-(Dimethylcarbamoyl)-2-fluorophenylboronic acid

• CAS: 874289-30-2
• Catalog Number: ACM874289302
• Category: Other Products; Boronic Acids
• Molecular Weight: 211.0
• Molecular Formula: C9H11BFNO3
• Synonyms: 874289-30-2, 4-(DIMETHYLCARBAMOYL)-2-FLUOROPHENYLBORONIC ACID, ACMC-209qmg, SureCN12813483, CTK5F8419, ANW-38774, AKOS015850825, AG-H-52812, AK-62055, KB-34940, X1442, B-4729, 4-(Dimethyl carbamoyl)-2-fluorophenylboronic acid, 4-(Dimethylcarbamoyl)-2-fluorophenylboronic acid,, (4-(Dimethylcarbamoyl)-2-fluorophenyl)boronic acid, I04-2610
• IUPAC Name: [4-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid
• Canonical SMILES: B(C1=C(C=C(C=C1)C(=O)N(C)C)F)(O)O
• InChI Key: IOTCMPCBVDPZTB-UHFFFAOYSA-N
• Exact Mass: 211.08200
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Reviews

May 23, 2023

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High-activity drug intermediate.
In drug synthesis, 4-(Dimethylcarbamoyl)-2-fluorophenylboronic acid has special biological activity and is a useful drug intermediate.

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C9H11BFNO3.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [4-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H11BFNO3/c1-12(2)9(13)6-3-4-7(10(14)15)8(11)5-6/h3-5,14-15H,1-2H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

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

What is the molecular weight of the compound?

The molecular weight of the compound is 211.00 g/mol.

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.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 60.8 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.