2-Fluoro-5-(methylcarbamoyl)phenylboronic acid

Name: 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid
SKU: ACM874289404
Rating: 5 (1 reviews)

CAS

874289-40-4

Catalog Number

ACM874289404

Category

Boronic Acids

Molecular Weight

196.97

Molecular Formula

C8H9 B F N O3

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Specification

Synonyms

874289-40-4, N-METHYL 3-BORONO-4-FLUOROBENZAMIDE, AG-H-52814, 2-Fluoro-5-(Methylcarbamoyl)Benzeneboronic Acid, (2-Fluoro-5-(methylcarbamoyl)phenyl)boronic acid, [2-fluoro-5-(methylcarbamoyl)phenyl]boronic acid, ACMC-209qmi, AC1Q40KB, SureCN3995737, CTK5F8421, MolPort-001-775-280, ANW-38776, N-methyl-3-borono-4-fluorobenzamide, PC3527, SBB092085, AKOS006222701, N-Methyl 3-borono-4-fluorobenzamide,, AK-54532, KB-58484, 2-fluoro-5-(methylcarbamoyl)phenylboronic acid

IUPAC Name

[2-fluoro-5-(methylcarbamoyl)phenyl]boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1)C(=O)NC)F)(O)O

InChI Key

YOQRSSHEHKHAGS-UHFFFAOYSA-N

Melting Point

174-176ºC

Density

1.31g/cm³

Exact Mass

197.06600

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid?

The molecular formula of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid is C8H9BFNO3.

When was 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid created?

2-Fluoro-5-(methylcarbamoyl)phenylboronic acid was created on March 14, 2010.

What is the IUPAC name of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid?

The IUPAC name of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid is [2-fluoro-5-(methylcarbamoyl)phenyl]boronic acid.

What is the InChIKey of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid?

The InChIKey of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid is YOQRSSHEHKHAGS-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid have?

2-Fluoro-5-(methylcarbamoyl)phenylboronic acid has 3 hydrogen bond donor counts.

What is the exact mass of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid?

The exact mass of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid is 197.0659515 g/mol.

How many heavy atoms are there in 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid?

There are 14 heavy atoms in 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid.

What is the topological polar surface area of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid?

The topological polar surface area of 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid is 69.6Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many rotatable bond counts does 2-Fluoro-5-(methylcarbamoyl)phenylboronic acid have?

2-Fluoro-5-(methylcarbamoyl)phenylboronic acid has 2 rotatable bond counts.