2-Chloro-4-formyl-3-methylphenylboronic acid

• CAS: 1451391-36-8
• Catalog Number: ACM1451391368
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of 2-Chloro-4-formyl-3-methylphenylboronic acid?

The molecular formula of 2-Chloro-4-formyl-3-methylphenylboronic acid is C8H8BClO3.

What is the molecular weight of 2-Chloro-4-formyl-3-methylphenylboronic acid?

The molecular weight of 2-Chloro-4-formyl-3-methylphenylboronic acid is 198.41 g/mol.

What is the IUPAC name of 2-Chloro-4-formyl-3-methylphenylboronic acid?

The IUPAC name of 2-Chloro-4-formyl-3-methylphenylboronic acid is (2-chloro-4-formyl-3-methylphenyl)boronic acid.

What is the InChI of 2-Chloro-4-formyl-3-methylphenylboronic acid?

The InChI of 2-Chloro-4-formyl-3-methylphenylboronic acid is InChI=1S/C8H8BClO3/c1-5-6(4-11)2-3-7(8(5)10)9(12)13/h2-4,12-13H,1H3.

What is the InChIKey of 2-Chloro-4-formyl-3-methylphenylboronic acid?

The InChIKey of 2-Chloro-4-formyl-3-methylphenylboronic acid is XIEPSLHUTAEFTC-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chloro-4-formyl-3-methylphenylboronic acid?

The canonical SMILES of 2-Chloro-4-formyl-3-methylphenylboronic acid is B(C1=C(C(=C(C=C1)C=O)C)Cl)(O)O.

How many hydrogen bond donor counts does 2-Chloro-4-formyl-3-methylphenylboronic acid have?

2-Chloro-4-formyl-3-methylphenylboronic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Chloro-4-formyl-3-methylphenylboronic acid have?

2-Chloro-4-formyl-3-methylphenylboronic acid has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 2-Chloro-4-formyl-3-methylphenylboronic acid have?

2-Chloro-4-formyl-3-methylphenylboronic acid has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.