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Home > Boronic Acids > 883738-41-8
883738-41-8 | tert-Butyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoyl);piperazine-1-carboxylate
CAS No: 883738-41-8 Catalog No: AG004ISZ MDL No:MFCD09266185
Product Description
Catalog Number:
AG004ISZ
Chemical Name:
tert-Butyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoyl);piperazine-1-carboxylate
CAS Number:
883738-41-8
Molecular Formula:
C22H33BN2O5
Molecular Weight:
416.3188
MDL Number:
MFCD09266185
IUPAC Name:
tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine-1-carboxylate
InChI:
InChI=1S/C22H33BN2O5/c1-20(2,3)28-19(27)25-13-11-24(12-14-25)18(26)16-9-8-10-17(15-16)23-29-21(4,5)22(6,7)30-23/h8-10,15H,11-14H2,1-7H3
InChI Key:
MHBAAGYJKTZUKJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.248g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.325g/mol
Monoisotopic Mass:
416.248g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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