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Home > Boronic Acids > 1103862-13-0
1103862-13-0 | 5-acetylpyridine-3-boronic acid pinacol ester
CAS No: 1103862-13-0 Catalog No: AG009475 MDL No:MFCD12923390
Product Description
Catalog Number:
AG009475
Chemical Name:
5-acetylpyridine-3-boronic acid pinacol ester
CAS Number:
1103862-13-0
Molecular Formula:
C13H18BNO3
Molecular Weight:
247.0979
MDL Number:
MFCD12923390
IUPAC Name:
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]ethanone
InChI:
InChI=1S/C13H18BNO3/c1-9(16)10-6-11(8-15-7-10)14-17-12(2,3)13(4,5)18-14/h6-8H,1-5H3
InChI Key:
PUYOTRMLWYCWSJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.138g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.101g/mol
Monoisotopic Mass:
247.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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