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Home > Boronic Acids > 1594127-49-7
1594127-49-7 | 1-Benzyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester
CAS No: 1594127-49-7 Catalog No: AG00ANUW MDL No:MFCD16995641
Product Description
Catalog Number:
AG00ANUW
Chemical Name:
1-Benzyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester
CAS Number:
1594127-49-7
Molecular Formula:
C18H22BNO3
Molecular Weight:
311.1832
MDL Number:
MFCD16995641
IUPAC Name:
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
InChI:
InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-10-11-16(21)20(13-15)12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3
InChI Key:
MGLITBRUDMNHJA-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(=O)n(c1)Cc1ccccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.188g/mol
Monoisotopic Mass:
311.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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