3-Carboxy-5-nitrophenylboronic acid

• CAS: 101084-81-5
• Catalog Number: ACM101084815
• Category: Boronic Acids
• Molecular Weight: 210.94g/mol
• Molecular Formula: C7H6BNO6
• Synonyms: 3-BORONO-5-NITROBENZOIC ACID;3-CARBOXY-5-NITROBENZENEBORONIC ACID;3-CARBOXY-5-NITROPHENYLBORONIC ACID;5-CARBOXY-3-NITROPHENYLBORONIC ACID;AKOS BRN-0156;RARECHEM AH PB 0071;3-Carboxy-5-Nitrophenylboronic;3-CARBOXY-5-NITROBENZOIC ACID
• IUPAC Name: 3-borono-5-nitrobenzoic acid
• Canonical SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O
• InChI: InChI=1S/C7H6BNO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,12-13H,(H,10,11)
• InChI Key: WNIFCLWDGNHGMX-UHFFFAOYSA-N
• Complexity: 265
• Covalently-Bonded Unit Count: 1
• Exact Mass: 211.028817g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 3
• Heavy Atom Count: 15
• Monoisotopic Mass: 211.028817g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the PubChem CID of 3-Carboxy-5-nitrophenylboronic acid?

PubChem CID 2773315

What is the molecular formula of 3-Carboxy-5-nitrophenylboronic acid?

C7H6BNO6

What is the molecular weight of 3-Carboxy-5-nitrophenylboronic acid?

210.94 g/mol

What is the IUPAC name of 3-Carboxy-5-nitrophenylboronic acid?

3-borono-5-nitrobenzoic acid

What is the InChI of 3-Carboxy-5-nitrophenylboronic acid?

InChI=1S/C7H6BNO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,12-13H,(H,10,11)

What is the InChIKey of 3-Carboxy-5-nitrophenylboronic acid?

WNIFCLWDGNHGMX-UHFFFAOYSA-N

What is the canonical SMILES of 3-Carboxy-5-nitrophenylboronic acid?

B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O

What is the CAS number of 3-Carboxy-5-nitrophenylboronic acid?

101084-81-5

How many hydrogen bond donor counts does 3-Carboxy-5-nitrophenylboronic acid have?

3

How many hydrogen bond acceptor counts does 3-Carboxy-5-nitrophenylboronic acid have?

6