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Home > Boronic Acids > 1310383-29-9
1310383-29-9 | tert-Butyl 4-{2-[3-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl}piperazine-1-carboxylate
CAS No: 1310383-29-9 Catalog No: AG01F2NF MDL No:
Product Description
Catalog Number:
AG01F2NF
Chemical Name:
tert-Butyl 4-{2-[3-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl}piperazine-1-carboxylate
CAS Number:
1310383-29-9
Molecular Formula:
C23H37BN2O5
Molecular Weight:
432.3613
IUPAC Name:
tert-butyl 4-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine-1-carboxylate
InChI:
InChI=1S/C23H37BN2O5/c1-21(2,3)29-20(27)26-13-11-25(12-14-26)15-16-28-19-10-8-9-18(17-19)24-30-22(4,5)23(6,7)31-24/h8-10,17H,11-16H2,1-7H3
InChI Key:
KALRAQLMNAJDJR-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)CCOc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.28g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.368g/mol
Monoisotopic Mass:
432.28g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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