1-Naphthylboronic acid pinacol ester

• CAS: 68716-52-9
• Catalog Number: ACM68716529
• Category: Other
• Molecular Weight: 254.13
• Molecular Formula: C₁₆H₁₉BO₂
• Synonyms: BM238, Naphthalene-1-boronic acid pinacol ester, 68716-52-9
• IUPAC Name: 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC3=CC=CC=C23
• InChI Key: WQGRAXGAXSNSDL-UHFFFAOYSA-N
• Boiling Point: 378.7ºC at 760 mmHg
• Melting Point: 56-58ºC
• Flash Point: 182.8ºC
• Density: 1.06g/cm³
• Exact Mass: 254.14800
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 1-Naphthylboronic acid pinacol ester according to the reference?

The molecular formula of 1-Naphthylboronic acid pinacol ester is C16H19BO2.

What is the molecular weight of 1-Naphthylboronic acid pinacol ester?

The molecular weight of 1-Naphthylboronic acid pinacol ester is 254.1 g/mol.

What is the IUPAC name of 1-Naphthylboronic acid pinacol ester?

The IUPAC name of 1-Naphthylboronic acid pinacol ester is 4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane.

What is the InChIKey of 1-Naphthylboronic acid pinacol ester?

The InChIKey of 1-Naphthylboronic acid pinacol ester is WQGRAXGAXSNSDL-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 1-Naphthylboronic acid pinacol ester have?

1-Naphthylboronic acid pinacol ester has 0 hydrogen bond donor counts.

What is the topological polar surface area of 1-Naphthylboronic acid pinacol ester?

The topological polar surface area of 1-Naphthylboronic acid pinacol ester is 18.5 Ų.

How many rotatable bond count does 1-Naphthylboronic acid pinacol ester have?

1-Naphthylboronic acid pinacol ester has 1 rotatable bond count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many heavy atoms are present in 1-Naphthylboronic acid pinacol ester?

There are 19 heavy atoms in 1-Naphthylboronic acid pinacol ester.

What is the complexity of 1-Naphthylboronic acid pinacol ester?

The complexity of 1-Naphthylboronic acid pinacol ester is 324.