5-(Dimethylcarbamoyl)-2-fluorobenzeneboronic acid

CAS

874289-46-0

Catalog Number

ACM874289460

Category

Boronic Acids

Molecular Weight

211

Molecular Formula

C9H11 B F N O3

MSDS COA Spec Sheet

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Specification

Synonyms

874289-46-0, N,N-Dimethyl 3-borono-4-fluorobenzamide, (5-(Dimethylcarbamoyl)-2-fluorophenyl)boronic acid, 5-(DIMETHYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID, ACMC-209qmn, SureCN6522758, CTK5F8425, MolPort-001-776-330, ANW-38781, PC5104, SBB094439, AKOS015833729, AG-H-52820, N,N-Dimethyl-3-borono-4-fluorobenzamide, AK-92926, KB-56619, N,N-Dimethyl 3-borono-4-fluorobenzamide,, FT-0082260, FT-0645013, B-4198

IUPAC Name

[5-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid

Canonical SMILES

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

InChI Key

BCTHFQUQSOEPDW-UHFFFAOYSA-N

Boiling Point

433.2ºC at 760 mmHg

Melting Point

143-147ºC

Flash Point

215.8ºC

Density

1.28g/cm³

Exact Mass

211.08200

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C9H11BFNO3.

What are the synonyms of the compound?

The synonyms of the compound are 874289-46-0, (5-(dimethylcarbamoyl)-2-fluorophenyl)boronic acid, N,N-Dimethyl 3-borono-4-fluorobenzamide, [5-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid, and 5-(DIMETHYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID.

What is the molecular weight of the compound?

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

When was the compound created?

The compound was created on March 14, 2010.

When was the compound last modified?

The compound was last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [5-(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)6-3-4-8(11)7(5-6)10(14)15/h3-5,14-15H,1-2H3.

What is the InChIKey of the compound?

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