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444120-95-0 | 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS No: 444120-95-0 Catalog No: AG0071RZ MDL No:MFCD03412792
Product Description
Catalog Number:
AG0071RZ
Chemical Name:
2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS Number:
444120-95-0
Molecular Formula:
C11H15BFNO2
Molecular Weight:
223.0517
MDL Number:
MFCD03412792
IUPAC Name:
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3
InChI Key:
ZKSRQMCKFLGPQU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.054g/mol
Monoisotopic Mass:
223.118g/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 |
|---|---|
| Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold. | Journal of medicinal chemistry 20120308 |
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