4-(4-Boc-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester

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Catalog Number

ACM864754132

Product Name

Structure

CAS

864754-13-2

Category

Heterocyclic Organic Compound

IUPAC Name

tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine-1-carboxylate

Molecular Weight

416.3g/mol

Molecular Formula

C22H33BN2O5

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33BN2O5/c1-20(2,3)28-19(27)25-14-12-24(13-15-25)18(26)16-8-10-17(11-9-16)23-29-21(4,5)22(6,7)30-23/h8-11H,12-15H2,1-7H3

InChI Key

QPYOLSJFOCIOHK-UHFFFAOYSA-N

Complexity

628

Covalently-Bonded Unit Count

Exact Mass

416.248252g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

416.248252g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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