(2-Boc-aminophenyl)boronic acid

• CAS: 115377-94-1
• Catalog Number: ACM115377941
• Category: Boro-Amino Acids
• Molecular Weight: 237.06
• Molecular Formula: C₁₁H₁₆BNO₄
• Synonyms: (2-N-Boc-aminophenyl)boronic acid, T1996G1, 115377-94-1
• IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
• Canonical SMILES: B(C1=CC=CC=C1NC(=O)OC(C)(C)C)(O)O
• InChI Key: RMEIKYSECODAHJ-UHFFFAOYSA-N
• Melting Point: 123-125ºC
• Density: 1.18g/cm³
• Exact Mass: 237.11700
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 3
• Safety Description: 26-36/37/39

Custom Q&A

What is the IUPAC name of (2-Boc-aminophenyl)boronic acid?

The IUPAC name is [2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid.

What is the molecular formula of (2-Boc-aminophenyl)boronic acid?

The molecular formula is C11H16BNO4.

What is the molecular weight of (2-Boc-aminophenyl)boronic acid?

The molecular weight is 237.06 g/mol.

What is the CAS number of (2-Boc-aminophenyl)boronic acid?

The CAS number is 115377-94-1.

How many hydrogen bond donor counts does (2-Boc-aminophenyl)boronic acid have?

It has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does (2-Boc-aminophenyl)boronic acid have?

It has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does (2-Boc-aminophenyl)boronic acid have?

It has 4 rotatable bond counts.

What is the topological polar surface area of (2-Boc-aminophenyl)boronic acid?

The topological polar surface area is 78.8Ų.

How many heavy atom counts does (2-Boc-aminophenyl)boronic acid have?

It has 17 heavy atom counts.

Is (2-Boc-aminophenyl)boronic acid a canonicalized compound?

Yes, it is a canonicalized compound.