N-Boc-indole-2-boronic acid

• Catalog Number: ACM213318446
• Product Name: N-Boc-indole-2-boronic acid
• CAS: 213318-44-6
• Category: Boronic Acids
• IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
• Molecular Weight: 261.08g/mol
• Molecular Formula: C13H16BNO4
• Canonical SMILES: B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O
• InChI: InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-10-7-5-4-6-9(10)8-11(15)14(17)18/h4-8,17-18H,1-3H3
• InChI Key: SVIBPSNFXYUOFT-UHFFFAOYSA-N
• Complexity: 342
• Covalently-Bonded Unit Count: 1
• Exact Mass: 261.117238g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 19
• Monoisotopic Mass: 261.117238g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of N-Boc-indole-2-boronic acid?

The molecular formula of N-Boc-indole-2-boronic acid is C13H16BNO4.

What is the molecular weight of N-Boc-indole-2-boronic acid?

The molecular weight of N-Boc-indole-2-boronic acid is 261.08 g/mol.

What is the IUPAC name of N-Boc-indole-2-boronic acid?

The IUPAC name of N-Boc-indole-2-boronic acid is [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.

What is the InChI of N-Boc-indole-2-boronic acid?

The InChI of N-Boc-indole-2-boronic acid is InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-10-7-5-4-6-9(10)8-11(15)14(17)18/h4-8,17-18H,1-3H3.

What is the InChIKey of N-Boc-indole-2-boronic acid?

The InChIKey of N-Boc-indole-2-boronic acid is SVIBPSNFXYUOFT-UHFFFAOYSA-N.

What is the canonical SMILES of N-Boc-indole-2-boronic acid?

The canonical SMILES of N-Boc-indole-2-boronic acid is B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O.

What is the CAS number of N-Boc-indole-2-boronic acid?

The CAS number of N-Boc-indole-2-boronic acid is 213318-44-6.

What is the EC number of N-Boc-indole-2-boronic acid?

The EC number of N-Boc-indole-2-boronic acid is 681-628-8.

What is the DSSTox Substance ID of N-Boc-indole-2-boronic acid?

The DSSTox Substance ID of N-Boc-indole-2-boronic acid is DTXSID20378354.

Is N-Boc-indole-2-boronic acid a canonicalized compound?

Yes, N-Boc-indole-2-boronic acid is a canonicalized compound.