Structure

3-Chloropyridin-4-boronic acid

CAS
458532-98-4
Catalog Number
ACM458532984
Category
Boronic Acids

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What is the molecular formula of 3-Chloropyridin-4-boronic acid?

The molecular formula is C5H5BClNO2.

What is the molecular weight of 3-Chloropyridin-4-boronic acid?

The molecular weight is 157.36 g/mol.

What is the IUPAC name of 3-Chloropyridin-4-boronic acid?

The IUPAC name is (3-chloropyridin-4-yl)boronic acid.

What is the InChI of 3-Chloropyridin-4-boronic acid?

The InChI is InChI=1S/C5H5BClNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H.

What is the InChIKey of 3-Chloropyridin-4-boronic acid?

The InChIKey is JLIHQPWLAOYTRH-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Chloropyridin-4-boronic acid?

The Canonical SMILES is B(C1=C(C=NC=C1)Cl)(O)O.

What is the CAS number of 3-Chloropyridin-4-boronic acid?

The CAS number is 458532-98-4.

How many hydrogen bond donor counts does 3-Chloropyridin-4-boronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Chloropyridin-4-boronic acid have?

It has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-Chloropyridin-4-boronic acid?

The topological polar surface area is 53.4Ų.

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