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Home > Boronic Acids > 917969-86-9
917969-86-9 | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine
CAS No: 917969-86-9 Catalog No: AG003A5E MDL No:
Product Description
Catalog Number:
AG003A5E
Chemical Name:
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine
CAS Number:
917969-86-9
Molecular Formula:
C13H17BF3NO2
Molecular Weight:
287.0858
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethyl)pyridine
InChI:
InChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)9-5-6-10(18-8-9)7-13(15,16)17/h5-6,8H,7H2,1-4H3
InChI Key:
NNYZBMSDICWYCK-UHFFFAOYSA-N
SMILES:
FC(Cc1ccc(cn1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.13g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.089g/mol
Monoisotopic Mass:
287.13g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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