4-(Acetamido)benzeneboronic acid, pinacol ester

• CAS: 214360-60-8
• Catalog Number: ACM214360608
• Category: Other
• Molecular Weight: 261.13g/mol
• Molecular Formula: C14H20BNO3
• IUPAC Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)C
• InChI: InChI=1S/C14H20BNO3/c1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
• InChI Key: ANGKVUVZQVUVJO-UHFFFAOYSA-N
• Complexity: 333
• Covalently-Bonded Unit Count: 1
• Exact Mass: 261.153624g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 19
• Monoisotopic Mass: 261.153624g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 4-(Acetamido)benzeneboronic acid, pinacol ester?

The molecular formula is C14H20BNO3.

What is the molecular weight of 4-(Acetamido)benzeneboronic acid, pinacol ester?

The molecular weight is 261.13 g/mol.

What is the IUPAC name of 4-(Acetamido)benzeneboronic acid, pinacol ester?

The IUPAC name is N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.

What is the InChI of 4-(Acetamido)benzeneboronic acid, pinacol ester?

The InChI is InChI=1S/C14H20BNO3/c1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17).

What is the InChIKey of 4-(Acetamido)benzeneboronic acid, pinacol ester?

The InChIKey is ANGKVUVZQVUVJO-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-(Acetamido)benzeneboronic acid, pinacol ester?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)C.

What is the CAS number of 4-(Acetamido)benzeneboronic acid, pinacol ester?

The CAS number is 214360-60-8.

What is the European Community (EC) Number of 4-(Acetamido)benzeneboronic acid, pinacol ester?

The European Community (EC) Number is 625-791-5.

What is the DSSTox Substance ID of 4-(Acetamido)benzeneboronic acid, pinacol ester?

The DSSTox Substance ID is DTXSID80370399.

Is 4-(Acetamido)benzeneboronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.