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Home > Boronic Acids > 656239-39-3
656239-39-3 | (4-ethyl-1-piperazinyl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CAS No: 656239-39-3 Catalog No: AG00FGIJ MDL No:MFCD18379054
Product Description
Catalog Number:
AG00FGIJ
Chemical Name:
(4-ethyl-1-piperazinyl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CAS Number:
656239-39-3
Molecular Formula:
C19H29BN2O3
Molecular Weight:
344.2562
MDL Number:
MFCD18379054
IUPAC Name:
(4-ethylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C19H29BN2O3/c1-6-21-11-13-22(14-12-21)17(23)15-7-9-16(10-8-15)20-24-18(2,3)19(4,5)25-20/h7-10H,6,11-14H2,1-5H3
InChI Key:
WTFPPCPYLZHSQU-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.227g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.262g/mol
Monoisotopic Mass:
344.227g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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