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.

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N-Boc-indole-2-boronic acid

Name: N-Boc-indole-2-boronic acid
SKU: ACM213318446
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Catalog NumberACM213318446

CAS Number213318-44-6

CategorySalt

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

Exact Mass

261.117238g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

261.117238g/mol

Rotatable Bond Count

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