2-Chloro-6-fluoro-3-methylbenzeneboronic acid

• CAS: 352535-85-4
• Catalog Number: ACM352535854
• Category: Boronic Acids
• Molecular Weight: 188.3916832
• Molecular Formula: C₇H₇BClFO₂
• Synonyms: 2-Chloro-6-fluoro-3-methylphenylboronic acid, 352535-85-4, SBB071200, AG-F-21791, (2-chloro-6-fluoro-3-methylphenyl)boronic acid, ACMC-209ifd, SureCN3319716, 557250_ALDRICH, AC1NM212, CTK4H4098, MolPort-001-777-048, ANW-28151, AKOS015849930, AB15778, RL03326, AK-40419, KB-22668, V1852, 2-Chloro-3-methyl-6-fluorophenylboronic acid, A822692
• IUPAC Name: (2-chloro-6-fluoro-3-methylphenyl)boronic acid
• Canonical SMILES: B(C1=C(C=CC(=C1Cl)C)F)(O)O
• InChI Key: FOZVMQJCNIKFOB-UHFFFAOYSA-N
• Boiling Point: 321.5ºC at 760mmHg
• Melting Point: 150-154ºC(lit.)
• Flash Point: 148.3ºC
• Density: 1.35g/cm³
• Exact Mass: 188.02100
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 2-Chloro-6-fluoro-3-methylbenzeneboronic acid?

The molecular formula is C7H7BClFO2.

What is the molecular weight of 2-Chloro-6-fluoro-3-methylbenzeneboronic acid?

The molecular weight is 188.39 g/mol.

What is the IUPAC name of 2-Chloro-6-fluoro-3-methylbenzeneboronic acid?

The IUPAC name is (2-chloro-6-fluoro-3-methylphenyl)boronic acid.

What is the InChI of 2-Chloro-6-fluoro-3-methylbenzeneboronic acid?

The InChI is InChI=1S/C7H7BClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,11-12H,1H3.

What is the InChIKey of 2-Chloro-6-fluoro-3-methylbenzeneboronic acid?

The InChIKey is FOZVMQJCNIKFOB-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Chloro-6-fluoro-3-methylbenzeneboronic acid?

The Canonical SMILES is B(C1=C(C=CC(=C1Cl)C)F)(O)O.

What is the CAS number of 2-Chloro-6-fluoro-3-methylbenzeneboronic acid?

The CAS number is 352535-85-4.

How many hydrogen bond donor counts does 2-Chloro-6-fluoro-3-methylbenzeneboronic acid have?

It has 2 hydrogen bond donor counts.

What is the rotatable bond count of 2-Chloro-6-fluoro-3-methylbenzeneboronic acid?

It has 1 rotatable bond count.

Is 2-Chloro-6-fluoro-3-methylbenzeneboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.