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Home > Boronic Acids > 1171044-18-0
1171044-18-0 | Methanone, [4-(1-methylethyl)-1-piperazinyl][4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 1171044-18-0 Catalog No: AG000DQI MDL No:MFCD18379055
Product Description
Catalog Number:
AG000DQI
Chemical Name:
Methanone, [4-(1-methylethyl)-1-piperazinyl][4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
1171044-18-0
Molecular Formula:
C20H31BN2O3
Molecular Weight:
358.2827
MDL Number:
MFCD18379055
IUPAC Name:
(4-propan-2-ylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C20H31BN2O3/c1-15(2)22-11-13-23(14-12-22)18(24)16-7-9-17(10-8-16)21-25-19(3,4)20(5,6)26-21/h7-10,15H,11-14H2,1-6H3
InChI Key:
UEFVOCVOZZVVNE-UHFFFAOYSA-N
SMILES:
CC(N1CCN(CC1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.243g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.289g/mol
Monoisotopic Mass:
358.243g/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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