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4-Hydroxymethyl-2,6-difluorophenylboronic acid

CAS
1451393-60-4
Catalog Number
ACM1451393604
Category
Boronic Acids

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What is the IUPAC name of the compound?

The IUPAC name of the compound is [2,6-difluoro-4-(hydroxymethyl)phenyl]boronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C7H7BF2O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 187.94 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H7BF2O3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2,11-13H,3H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

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

How many hydrogen bond donor count does the compound have?

The compound has 3 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 5 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 2 rotatable bond count.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 60.7Ų.

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