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Home > Boronic Acids > 940284-94-6
940284-94-6 | tert-Butyl 4-(2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);piperazine-1-carboxylate
CAS No: 940284-94-6 Catalog No: AG003UJU MDL No:MFCD13195254
Product Description
Catalog Number:
AG003UJU
Chemical Name:
tert-Butyl 4-(2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);piperazine-1-carboxylate
CAS Number:
940284-94-6
Molecular Formula:
C21H32BN3O6
Molecular Weight:
433.3063
MDL Number:
MFCD13195254
IUPAC Name:
tert-butyl 4-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
InChI:
InChI=1S/C21H32BN3O6/c1-19(2,3)29-18(26)24-12-10-23(11-13-24)16-9-8-15(14-17(16)25(27)28)22-30-20(4,5)21(6,7)31-22/h8-9,14H,10-13H2,1-7H3
InChI Key:
OXRMGGBCHRVVEA-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.238g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.312g/mol
Monoisotopic Mass:
433.238g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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