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Home > Boronic Acids > 832114-06-4
832114-06-4 | (4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone
CAS No: 832114-06-4 Catalog No: AG008J1O MDL No:MFCD05863914
Product Description
Catalog Number:
AG008J1O
Chemical Name:
(4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone
CAS Number:
832114-06-4
Molecular Formula:
C18H27BN2O3
Molecular Weight:
330.2296
MDL Number:
MFCD05863914
IUPAC Name:
(4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)15-8-6-14(7-9-15)16(22)21-12-10-20(5)11-13-21/h6-9H,10-13H2,1-5H3
InChI Key:
TXCDVBDHDQAWLR-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)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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