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Home > Boronic Acids > 1092563-68-2
1092563-68-2 | tert-Butyl 4-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
CAS No: 1092563-68-2 Catalog No: AG003CSA MDL No:MFCD11877832
Product Description
Catalog Number:
AG003CSA
Chemical Name:
tert-Butyl 4-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
CAS Number:
1092563-68-2
Molecular Formula:
C20H34BN3O4
Molecular Weight:
391.3127
MDL Number:
MFCD11877832
IUPAC Name:
tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
InChI:
InChI=1S/C20H34BN3O4/c1-14-16(21-27-19(5,6)20(7,8)28-21)13-24(22-14)15-9-11-23(12-10-15)17(25)26-18(2,3)4/h13,15H,9-12H2,1-8H3
InChI Key:
CEDVIMODHITMNP-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1cc(c(n1)C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.264g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.319g/mol
Monoisotopic Mass:
391.264g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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