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Home > Boronic Acids > 1704068-57-4
1704068-57-4 | tert-butyl 4-((4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbaMoyl)piperazine-1-carboxylate
CAS No: 1704068-57-4 Catalog No: AG00ARTC MDL No:MFCD28805781
Product Description
Catalog Number:
AG00ARTC
Chemical Name:
tert-butyl 4-((4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbaMoyl)piperazine-1-carboxylate
CAS Number:
1704068-57-4
Molecular Formula:
C22H34BN3O5
Molecular Weight:
431.3335
MDL Number:
MFCD28805781
IUPAC Name:
tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]piperazine-1-carboxylate
InChI:
InChI=1S/C22H34BN3O5/c1-20(2,3)29-19(28)26-14-12-25(13-15-26)18(27)24-17-10-8-16(9-11-17)23-30-21(4,5)22(6,7)31-23/h8-11H,12-15H2,1-7H3,(H,24,27)
InChI Key:
OODNGVJAOBVIJL-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=O)OC(C)(C)C)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.259g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.34g/mol
Monoisotopic Mass:
431.259g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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