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

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

CAS: 883738-38-3

Formula: C18H27BN2O3

SMILES: CN1CCN(CC1)C(=O)C1=CC=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine

InChI: InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)15-8-6-7-14(13-15)16(22)21-11-9-20(5)10-12-21/h6-8,13H,9-12H2,1-5H3

Composition: C (65.47%), H (8.24%), B (3.27%), N (8.48%), O (14.53%)

Molar Mass: 330.24

Atom Count: 51

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 330.211473
Formal Charge 0
FSP3 0.61
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ZYDMNNQZEUSDGG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.64
Topological Polar Surface Area 42.01
Polarizability 36.83
Ring Count 3
Rotatable Bond Count 2

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