4-Nitrophenylboronic acid

• CAS: 24067-17-2
• Catalog Number: ACM24067172
• Category: Boronic Acids
• Molecular Weight: 166.93g/mol
• Molecular Formula: C6H6BNO4
• Synonyms: 4-NITROPHENYLBORONIC ACID;4-NITROBENZENEBORONIC ACID;RARECHEM AH PB 0141;P-NITROPHENYLBORONIC ACID;4-Nitrophenylboronic Acid (contains varying amounts of Anhydride);4-Nitrophenylboronic acid ,97%;4-Borononitrobenzene;Boronic acid, B-(4-nitrophenyl)-
• IUPAC Name: (4-nitrophenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)[N+](=O)[O-])(O)O
• InChI: InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H
• InChI Key: NSFJAFZHYOAMHL-UHFFFAOYSA-N
• Complexity: 161
• Covalently-Bonded Unit Count: 1
• Exact Mass: 167.038988g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 167.038988g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is (4-nitrophenyl)boronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C6H6BNO4.

What is the CAS number of the compound?

The CAS number of the compound is 24067-17-2.

What is the molecular weight of the compound?

The molecular weight of the compound is 166.93 g/mol.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 4 hydrogen bond acceptor count.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 86.3 Ų.

How many rotatable bond count does the compound have?

The compound has 1 rotatable bond count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many covalently-bonded units does the compound have?

The compound has 1 covalently-bonded unit count.