4-Methyl-3-nitrophenylboronic acid

• CAS: 80500-27-2
• Catalog Number: ACM80500272
• Category: Boronic Acids
• Molecular Weight: 180.96g/mol
• Molecular Formula: C7H8BNO4
• IUPAC Name: (4-methyl-3-nitrophenyl)boronic acid
• Canonical SMILES: B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
• InChI: InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3
• InChI Key: OASVXBRTNVFKFS-UHFFFAOYSA-N
• Complexity: 193
• Covalently-Bonded Unit Count: 1
• Exact Mass: 181.054638g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 181.054638g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 4-Methyl-3-nitrophenylboronic acid?

The molecular formula is C7H8BNO4.

What is the molecular weight of 4-Methyl-3-nitrophenylboronic acid?

The molecular weight is 180.96 g/mol.

What is the IUPAC name of 4-Methyl-3-nitrophenylboronic acid?

The IUPAC name is (4-methyl-3-nitrophenyl)boronic acid.

What is the InChI of 4-Methyl-3-nitrophenylboronic acid?

The InChI is InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3.

What is the InChIKey of 4-Methyl-3-nitrophenylboronic acid?

The InChIKey is OASVXBRTNVFKFS-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Methyl-3-nitrophenylboronic acid?

The canonical SMILES is B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O.

What is the CAS number of 4-Methyl-3-nitrophenylboronic acid?

The CAS number is 80500-27-2.

What is the EC number of 4-Methyl-3-nitrophenylboronic acid?

The EC number is 672-692-8.

Is 4-Methyl-3-nitrophenylboronic acid a canonicalized compound?

Yes, 4-Methyl-3-nitrophenylboronic acid is a canonicalized compound.