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Home > Boronic Acids > 2056919-38-9
2056919-38-9 | N-isobutyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide
CAS No: 2056919-38-9 Catalog No: AG01FL7H MDL No:
Product Description
Catalog Number:
AG01FL7H
Chemical Name:
N-isobutyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide
CAS Number:
2056919-38-9
Molecular Formula:
C18H28BNO4
Molecular Weight:
333.2302
IUPAC Name:
N-(2-methylpropyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide
InChI:
InChI=1S/C18H28BNO4/c1-13(2)11-20-16(21)12-22-15-9-7-8-14(10-15)19-23-17(3,4)18(5,6)24-19/h7-10,13H,11-12H2,1-6H3,(H,20,21)
InChI Key:
CDUNRXUMAABPAV-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)COc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.211g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.235g/mol
Monoisotopic Mass:
333.211g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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