4-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester

• CAS: 656239-38-2
• Catalog Number: ACM656239382-1
• Category: Boronic Esters
• Molecular Weight: 317.2g/mol
• Molecular Formula: C17H24BNO4
• IUPAC Name: morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCOCC3
• InChI: InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(20)19-9-11-21-12-10-19/h5-8H,9-12H2,1-4H3
• InChI Key: ZOPBEWUNCNLYSD-UHFFFAOYSA-N
• Complexity: 424
• Covalently-Bonded Unit Count: 1
• Exact Mass: 317.179838g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 23
• Monoisotopic Mass: 317.179838g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 4-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester?

The molecular formula is C17H24BNO4.

What is the molecular weight of 4-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester?

The molecular weight is 317.2 g/mol.

What is the IUPAC name of the compound?

morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone.

What is the InChIKey of the compound?

ZOPBEWUNCNLYSD-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts are there in the compound?

There are 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 48Ų.

How many rotatable bond counts are there in the compound?

There are 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the CAS number of 4-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester?

The CAS number is 656239-38-2.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number is 675-080-9.