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Home > Boronic Acids > 1401697-54-8
1401697-54-8 | tert-butyl 4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetyl)piperazine-1-carboxylate
CAS No: 1401697-54-8 Catalog No: AG01DUCR MDL No:
Product Description
Catalog Number:
AG01DUCR
Chemical Name:
tert-butyl 4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetyl)piperazine-1-carboxylate
CAS Number:
1401697-54-8
Molecular Formula:
C23H35BN2O6
Molecular Weight:
446.3448
IUPAC Name:
tert-butyl 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetyl]piperazine-1-carboxylate
InChI:
InChI=1S/C23H35BN2O6/c1-21(2,3)30-20(28)26-14-12-25(13-15-26)19(27)16-29-18-10-8-17(9-11-18)24-31-22(4,5)23(6,7)32-24/h8-11H,12-16H2,1-7H3
InChI Key:
RNOYZSQVIPJUDU-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=O)OC(C)(C)C)COc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.259g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.351g/mol
Monoisotopic Mass:
446.259g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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