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Home > Boronic Acids > 2246814-89-9
2246814-89-9 | 3,3-dimethyl-N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide
CAS No: 2246814-89-9 Catalog No: AG00RW26 MDL No:
Product Description
Catalog Number:
AG00RW26
Chemical Name:
3,3-dimethyl-N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide
CAS Number:
2246814-89-9
Molecular Formula:
C18H28BNO3
Molecular Weight:
317.2308
IUPAC Name:
3,3-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide
InChI:
InChI=1S/C18H28BNO3/c1-16(2,3)12-15(21)20-14-10-8-9-13(11-14)19-22-17(4,5)18(6,7)23-19/h8-11H,12H2,1-7H3,(H,20,21)
InChI Key:
SJMWEGGUILWRFM-UHFFFAOYSA-N
SMILES:
O=C(CC(C)(C)C)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.216g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.236g/mol
Monoisotopic Mass:
317.216g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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