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Home > Boronic Acids > 1218791-38-8
1218791-38-8 | Ethanone, 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinyl]-
CAS No: 1218791-38-8 Catalog No: AG0016BK MDL No:MFCD13195756
Product Description
Catalog Number:
AG0016BK
Chemical Name:
Ethanone, 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinyl]-
CAS Number:
1218791-38-8
Molecular Formula:
C18H27BN2O3
Molecular Weight:
330.2296
MDL Number:
MFCD13195756
IUPAC Name:
1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazin-1-yl]ethanone
InChI:
InChI=1S/C18H27BN2O3/c1-14(22)20-10-12-21(13-11-20)16-8-6-15(7-9-16)19-23-17(2,3)18(4,5)24-19/h6-9H,10-13H2,1-5H3
InChI Key:
VRZVSHHLWMAHAZ-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.211g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.235g/mol
Monoisotopic Mass:
330.211g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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