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Home > Boronic Acids > 1309982-39-5
1309982-39-5 | 6-(1,3-Dioxolan-2-yl)pyridine-3-boronic acid pinacol ester
CAS No: 1309982-39-5 Catalog No: AG009XU3 MDL No:MFCD12198148
Product Description
Catalog Number:
AG009XU3
Chemical Name:
6-(1,3-Dioxolan-2-yl)pyridine-3-boronic acid pinacol ester
CAS Number:
1309982-39-5
Molecular Formula:
C14H20BNO4
Molecular Weight:
277.1239
MDL Number:
MFCD12198148
IUPAC Name:
2-(1,3-dioxolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-5-6-11(16-9-10)12-17-7-8-18-12/h5-6,9,12H,7-8H2,1-4H3
InChI Key:
WNNGBTVWYXWIEC-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(nc1)C1OCCO1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.127g/mol
Monoisotopic Mass:
277.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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