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Home > Boronic Acids > 870067-55-3
870067-55-3 | 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CAS No: 870067-55-3 Catalog No: AG003DZO MDL No:
Product Description
Catalog Number:
AG003DZO
Chemical Name:
1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CAS Number:
870067-55-3
Molecular Formula:
C18H22BNO3
Molecular Weight:
311.1832
IUPAC Name:
1-benzyl-4-(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)15-10-11-20(16(21)12-15)13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
InChI Key:
ZMBQLWGSHDOWFS-UHFFFAOYSA-N
SMILES:
O=c1cc(ccn1Cc1ccccc1)B1OC(C(O1)(C)C)(C)C
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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