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Home > Boronic Acids > 1073354-26-3
1073354-26-3 | Ethyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate
CAS No: 1073354-26-3 Catalog No: AG003EW0 MDL No:MFCD06798269
Product Description
Catalog Number:
AG003EW0
Chemical Name:
Ethyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate
CAS Number:
1073354-26-3
Molecular Formula:
C18H28BN3O4
Molecular Weight:
361.2436
MDL Number:
MFCD06798269
IUPAC Name:
ethyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C18H28BN3O4/c1-6-24-16(23)22-11-9-21(10-12-22)15-8-7-14(13-20-15)19-25-17(2,3)18(4,5)26-19/h7-8,13H,6,9-12H2,1-5H3
InChI Key:
XKCNZNSTOYPVDQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.217g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.249g/mol
Monoisotopic Mass:
361.217g/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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