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Home > Boronic Acids > 286961-14-6
286961-14-6 | N-Boc-1,2,5,6-Tetrahydropyridine-4-Boronic Acid Pinacol Ester
CAS No: 286961-14-6 Catalog No: AG0035CD MDL No:MFCD03840345
Product Description
Catalog Number:
AG0035CD
Chemical Name:
N-Boc-1,2,5,6-Tetrahydropyridine-4-Boronic Acid Pinacol Ester
CAS Number:
286961-14-6
Molecular Formula:
C16H28BNO4
Molecular Weight:
309.2088
MDL Number:
MFCD03840345
IUPAC Name:
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h8H,9-11H2,1-7H3
InChI Key:
VVDCRJGWILREQH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.211g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.213g/mol
Monoisotopic Mass:
309.211g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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