4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid

• CAS: 850568-52-4
• Catalog Number: ACM850568524
• Category: Boronic Acids
• Molecular Weight: 367.2
• Molecular Formula: C₂₀H₂₂BNO₅
• Synonyms: B1495G1, 4-Benzyloxy-1-Boc-indole-2-boronic acid, 850568-52-4
• IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxy)indol-2-yl]boronic acid
• Canonical SMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC=C2OCC3=CC=CC=C3)(O)O
• InChI Key: YXJBIADEQVCONT-UHFFFAOYSA-N
• Boiling Point: 564.7ºC at 760 mmHg
• Flash Point: 295.3ºC
• Density: 1.17 g/cm³
• Exact Mass: 367.15900
• H-Bond Acceptor: 5
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The molecular formula is C20H22BNO5.

What is the molecular weight of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The molecular weight is 367.2 g/mol.

What is the IUPAC name of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxyindol-2-yl]boronic acid.

What is the InChI of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The InChI is InChI=1S/C20H22BNO5/c1-20(2,3)27-19(23)22-16-10-7-11-17(15(16)12-18(22)21(24)25)26-13-14-8-5-4-6-9-14/h4-12,24-25H,13H2,1-3H3.

What is the InChIKey of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The InChIKey is YXJBIADEQVCONT-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The canonical SMILES is B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC=C2OCC3=CC=CC=C3)(O)O.

What is the CAS number of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The CAS number is 850568-52-4.

What is the hydrogen bond donor count of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The hydrogen bond acceptor count is 5.

What is the topological polar surface area of 4-Benzyloxy-1-tert-butoxycarbonylindole-2-boronic acid?

The topological polar surface area is 80.9Ų.