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Home > Boronic Acids > 1256359-93-9
1256359-93-9 | Pyridine, 2-(2-methylpropoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-
CAS No: 1256359-93-9 Catalog No: AG000O6Z MDL No:MFCD16295110
Product Description
Catalog Number:
AG000O6Z
Chemical Name:
Pyridine, 2-(2-methylpropoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-
CAS Number:
1256359-93-9
Molecular Formula:
C16H23BF3NO3
Molecular Weight:
345.1649
MDL Number:
MFCD16295110
IUPAC Name:
2-(2-methylpropoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C16H23BF3NO3/c1-10(2)9-22-13-12(7-11(8-21-13)16(18,19)20)17-23-14(3,4)15(5,6)24-17/h7-8,10H,9H2,1-6H3
InChI Key:
XIGQSTXYSFRQSD-UHFFFAOYSA-N
SMILES:
CC(COc1ncc(cc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.172g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.169g/mol
Monoisotopic Mass:
345.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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