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Home > Boronic Acids > 957061-08-4
957061-08-4 | 1-(Piperidin-1-yl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propan-2-ol
CAS No: 957061-08-4 Catalog No: AG003D44 MDL No:MFCD09258654
Product Description
Catalog Number:
AG003D44
Chemical Name:
1-(Piperidin-1-yl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propan-2-ol
CAS Number:
957061-08-4
Molecular Formula:
C20H32BNO4
Molecular Weight:
361.2834
MDL Number:
MFCD09258654
IUPAC Name:
1-piperidin-1-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-ol
InChI:
InChI=1S/C20H32BNO4/c1-19(2)20(3,4)26-21(25-19)16-8-10-18(11-9-16)24-15-17(23)14-22-12-6-5-7-13-22/h8-11,17,23H,5-7,12-15H2,1-4H3
InChI Key:
RFBSFMCUMYXPID-UHFFFAOYSA-N
SMILES:
OC(CN1CCCCC1)COc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.242g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.289g/mol
Monoisotopic Mass:
361.242g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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