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Home > Boronic Acids > 957346-47-3
957346-47-3 | 2-Ethoxypyridine-4-boronic acid, pinacol ester
CAS No: 957346-47-3 Catalog No: AG00IJFA MDL No:MFCD11617874
Product Description
Catalog Number:
AG00IJFA
Chemical Name:
2-Ethoxypyridine-4-boronic acid, pinacol ester
CAS Number:
957346-47-3
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
MDL Number:
MFCD11617874
IUPAC Name:
2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C13H20BNO3/c1-6-16-11-9-10(7-8-15-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
InChI Key:
KENDLRLNVAAMHD-UHFFFAOYSA-N
SMILES:
CCOc1nccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.154g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.117g/mol
Monoisotopic Mass:
249.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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