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Home > Boronic Acids > 1256360-65-2
1256360-65-2 | Piperazin-1-yl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone hydrochloride
CAS No: 1256360-65-2 Catalog No: AG009BRG MDL No:MFCD17015839
Product Description
Catalog Number:
AG009BRG
Chemical Name:
Piperazin-1-yl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone hydrochloride
CAS Number:
1256360-65-2
Molecular Formula:
C17H26BClN2O3
Molecular Weight:
352.6639
MDL Number:
MFCD17015839
IUPAC Name:
piperazin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone;hydrochloride
InChI:
InChI=1S/C17H25BN2O3.ClH/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(21)20-11-9-19-10-12-20;/h5-8,19H,9-12H2,1-4H3;1H
InChI Key:
SIWNUCVVQAKXQR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)N1CCNCC1.Cl
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.666g/mol
Monoisotopic Mass:
352.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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