5-(Dimethylcarbamoyl)-2-fluorobenzeneboronic acid

• Catalog Number: ACM874289460
• Product Name: 5-(Dimethylcarbamoyl)-2-fluorobenzeneboronic acid
• CAS: 874289-46-0
• Category: Boronic Acids
• 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
• Molecular Weight: 211
• Molecular Formula: C9H11 B F N O3
• 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: 4
• H-Bond Donor: 2

Custom Q&A

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.

What is the canonical SMILES of the compound?

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

What is the CAS number of the compound?

The CAS number of the compound is 874289-46-0.