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Home > Boronic Acids > 1073355-13-1
1073355-13-1 | tert-Butyl 4-(4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyridin-2-yl);piperazine-1-carboxylate
CAS No: 1073355-13-1 Catalog No: AG003UK1 MDL No:MFCD09271789
Product Description
Catalog Number:
AG003UK1
Chemical Name:
tert-Butyl 4-(4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyridin-2-yl);piperazine-1-carboxylate
CAS Number:
1073355-13-1
Molecular Formula:
C21H34BN3O4
Molecular Weight:
403.3234
MDL Number:
MFCD09271789
IUPAC Name:
tert-butyl 4-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C21H34BN3O4/c1-15-13-17(23-14-16(15)22-28-20(5,6)21(7,8)29-22)24-9-11-25(12-10-24)18(26)27-19(2,3)4/h13-14H,9-12H2,1-8H3
InChI Key:
CQYHKQXSKLVNHE-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncc(c(c1)C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.264g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.33g/mol
Monoisotopic Mass:
403.264g/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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