4-(Naphthalen-2-yl)phenylboronic acid

• CAS: 918655-03-5
• Catalog Number: ACM918655035
• Category: Other Products
• Molecular Weight: 248.1g/mol
• Molecular Formula: C16H13BO2
• Synonyms: 4-(NAPHTHALEN-2-YL)PHENYLBORONIC ACID; ;4-(2-Naphthyl)benzeneboronic acid, 97%;4-(naphthalen-2-yl)phenylboronic;4-(2-Napthyl)phenylboronic acid;4-(2-Naphthyl)phenylboronic Acid (contains varying aMounts of Anhydride);4-(2-naphthyl)phenylboronic acid; (2NPBA
• IUPAC Name: (4-naphthalen-2-ylphenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)(O)O
• InChI: InChI=1S/C16H13BO2/c18-17(19)16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,18-19H
• InChI Key: ICQAKBYFBIWELX-UHFFFAOYSA-N
• Complexity: 287
• Covalently-Bonded Unit Count: 1
• Exact Mass: 248.10086g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 19
• Monoisotopic Mass: 248.10086g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C16H13BO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 248.1 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (4-naphthalen-2-ylphenyl)boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H13BO2/c18-17(19)16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,18-19H.

What is the InChIKey of the compound?

The InChIKey of the compound is ICQAKBYFBIWELX-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 918655-03-5.

What is the EC number of the compound?

The EC number of the compound is 805-884-9.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID60670208.

Is the compound canonicalized?

Yes, the compound is canonicalized.