4-(N-boc-amino)phenylboronic acid pinacol ester

• CAS: 330793-01-6
• Catalog Number: ACM330793016
• Category: Boronic Esters
• Molecular Weight: 319.2g/mol
• Molecular Formula: C17H26BNO4
• IUPAC Name: tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
• InChI Key: HSJNIOYPTSKQBD-UHFFFAOYSA-N
• Complexity: 420
• Covalently-Bonded Unit Count: 1
• Exact Mass: 319.195489g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 23
• Monoisotopic Mass: 319.195489g/mol
• Rotatable Bond Count: 4

Custom Q&A

What is the molecular formula of 4-(N-boc-amino)phenylboronic acid pinacol ester?

The molecular formula is C17H26BNO4.

What is the molecular weight of 4-(N-boc-amino)phenylboronic acid pinacol ester?

The molecular weight is 319.2 g/mol.

What is the IUPAC name of 4-(N-boc-amino)phenylboronic acid pinacol ester?

The IUPAC name is tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate.

What is the InChI of 4-(N-boc-amino)phenylboronic acid pinacol ester?

The InChI is InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20).

How many hydrogen bond donor counts does 4-(N-boc-amino)phenylboronic acid pinacol ester have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 4-(N-boc-amino)phenylboronic acid pinacol ester have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-(N-boc-amino)phenylboronic acid pinacol ester?

The topological polar surface area is 56.8 Ų.

How many rotatable bond counts does 4-(N-boc-amino)phenylboronic acid pinacol ester have?

It has 4 rotatable bond counts.

Is 4-(N-boc-amino)phenylboronic acid pinacol ester considered a canonicalized compound?

Yes, it is considered a canonicalized compound.

What is the formal charge of 4-(N-boc-amino)phenylboronic acid pinacol ester?

The formal charge is 0.