Benzeneboronic acid, pinacol ester

• CAS: 24388-23-6
• Catalog Number: ACM24388236
• Category: Other
• Molecular Weight: 204.08g/mol
• Molecular Formula: C12H17BO2
• Synonyms: PHENYL-BORONIC ACID PINACOL ESTER;(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZENE;Benzeneboronic acid, pinacol ester;(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-;4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane;2-Phenyl-4,4,5,5-tetramethyl-1,3,2-di
• IUPAC Name: 4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2
• InChI: InChI=1S/C12H17BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h5-9H,1-4H3
• InChI Key: KKLCYBZPQDOFQK-UHFFFAOYSA-N
• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Exact Mass: 204.13216g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 15
• Monoisotopic Mass: 204.13216g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of Benzeneboronic acid, pinacol ester?

The molecular formula is C12H17BO2.

What is the molecular weight of Benzeneboronic acid, pinacol ester?

The molecular weight is 204.08 g/mol.

What is the IUPAC name of Benzeneboronic acid, pinacol ester?

The IUPAC name is 4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane.

What is the InChI of Benzeneboronic acid, pinacol ester?

The InChI is InChI=1S/C12H17BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h5-9H,1-4H3.

What is the InChIKey of Benzeneboronic acid, pinacol ester?

The InChIKey is KKLCYBZPQDOFQK-UHFFFAOYSA-N.

What is the canonical SMILES of Benzeneboronic acid, pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2.

What is the CAS number of Benzeneboronic acid, pinacol ester?

The CAS number is 24388-23-6.

What is the European Community (EC) Number of Benzeneboronic acid, pinacol ester?

The European Community (EC) Number is 629-233-1.

What is the DSSTox Substance ID of Benzeneboronic acid, pinacol ester?

The DSSTox Substance ID is DTXSID50341152.

Is Benzeneboronic acid, pinacol ester a canonicalized compound?

Yes, it is canonicalized.