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Home > Boronic Acids > 2057448-28-7
2057448-28-7 | 1-morpholino-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethan-1-one
CAS No: 2057448-28-7 Catalog No: AG01DTQ9 MDL No:
Product Description
Catalog Number:
AG01DTQ9
Chemical Name:
1-morpholino-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethan-1-one
CAS Number:
2057448-28-7
Molecular Formula:
C18H26BNO5
Molecular Weight:
347.2137
IUPAC Name:
1-morpholin-4-yl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanone
InChI:
InChI=1S/C18H26BNO5/c1-17(2)18(3,4)25-19(24-17)14-6-5-7-15(12-14)23-13-16(21)20-8-10-22-11-9-20/h5-7,12H,8-11,13H2,1-4H3
InChI Key:
IFJNZSWVCRTBHO-UHFFFAOYSA-N
SMILES:
O=C(N1CCOCC1)COc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.19g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.218g/mol
Monoisotopic Mass:
347.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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