1-Naphthylboronic acid

• CAS: 13922-41-3
• Catalog Number: ACM13922413-5
• Category: Boronic Acids
• Molecular Weight: 171.99
• Molecular Formula: C10H9BO2
• Synonyms: 1-Borononaphthalene
• IUPAC Name: naphthalen-1-ylboronic acid
• Canonical SMILES: B(C1=CC=CC2=CC=CC=C12)(O)O
• InChI: InChI=1S/C10H9BO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12-13H
• InChI Key: HUMMCEUVDBVXTQ-UHFFFAOYSA-N
• Boiling Point: 381.9±25.0 °C
• Melting Point: 208-214 °C (lit.)
• Density: 1.21±0.1 g/ml
• Complexity: 172
• Covalently-Bonded Unit Count: 1
• EC Number: 604-119-4
• Exact Mass: 172.06956g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 172.06956g/mol
• NSC Number: 78936
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 1-Naphthylboronic acid?

The molecular formula of 1-Naphthylboronic acid is C10H9BO2.

What is the molecular weight of 1-Naphthylboronic acid?

The molecular weight of 1-Naphthylboronic acid is 171.99 g/mol.

What is the IUPAC name of 1-Naphthylboronic acid?

The IUPAC name of 1-Naphthylboronic acid is naphthalen-1-ylboronic acid.

What is the InChI of 1-Naphthylboronic acid?

The InChI of 1-Naphthylboronic acid is InChI=1S/C10H9BO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12-13H.

What is the InChIKey of 1-Naphthylboronic acid?

The InChIKey of 1-Naphthylboronic acid is HUMMCEUVDBVXTQ-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Naphthylboronic acid?

The canonical SMILES of 1-Naphthylboronic acid is B(C1=CC=CC2=CC=CC=C12)(O)O.

What is the CAS number of 1-Naphthylboronic acid?

The CAS number of 1-Naphthylboronic acid is 13922-41-3.

What is the ChEMBL ID of 1-Naphthylboronic acid?

The ChEMBL ID of 1-Naphthylboronic acid is CHEMBL415532.

What is the DSSTox Substance ID of 1-Naphthylboronic acid?

The DSSTox Substance ID of 1-Naphthylboronic acid is DTXSID80930396.

Is 1-Naphthylboronic acid a canonicalized compound?

Yes, 1-Naphthylboronic acid is a canonicalized compound.