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Home > Boronic Acids > 325142-95-8
325142-95-8 | 2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyridine
CAS No: 325142-95-8 Catalog No: AG003G5H MDL No:MFCD11617853
Product Description
Catalog Number:
AG003G5H
Chemical Name:
2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyridine
CAS Number:
325142-95-8
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD11617853
IUPAC Name:
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C13H20BNO2/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
InChI Key:
XYNDKPYVNTVDAH-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(n1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design. | Journal of medicinal chemistry 20120308 |
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