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Home > Boronic Acids > 496786-98-2
496786-98-2 | tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate
CAS No: 496786-98-2 Catalog No: AG006ZEB MDL No:MFCD04039875
Product Description
Catalog Number:
AG006ZEB
Chemical Name:
tert-Butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate
CAS Number:
496786-98-2
Molecular Formula:
C20H32BN3O4
Molecular Weight:
389.2968
MDL Number:
MFCD04039875
IUPAC Name:
tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-12-10-23(11-13-24)16-9-8-15(14-22-16)21-27-19(4,5)20(6,7)28-21/h8-9,14H,10-13H2,1-7H3
InChI Key:
JWUBVPJWWYYRLJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.249g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.303g/mol
Monoisotopic Mass:
389.249g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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