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Home > Boronic Acids > 1310405-24-3
1310405-24-3 | tert-Butyl 4-{2-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl}piperidine-1-carboxylate
CAS No: 1310405-24-3 Catalog No: AG01F2O4 MDL No:
Product Description
Catalog Number:
AG01F2O4
Chemical Name:
tert-Butyl 4-{2-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl}piperidine-1-carboxylate
CAS Number:
1310405-24-3
Molecular Formula:
C24H38BNO5
Molecular Weight:
431.3732
IUPAC Name:
tert-butyl 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C24H38BNO5/c1-22(2,3)29-21(27)26-15-12-18(13-16-26)14-17-28-20-10-8-19(9-11-20)25-30-23(4,5)24(6,7)31-25/h8-11,18H,12-17H2,1-7H3
InChI Key:
XMMKJMFBTRKXJE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.284g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.38g/mol
Monoisotopic Mass:
431.284g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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