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Home > Boronic Acids > 1356066-65-3
1356066-65-3 | 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
CAS No: 1356066-65-3 Catalog No: AG003ACZ MDL No:MFCD16995198
Product Description
Catalog Number:
AG003ACZ
Chemical Name:
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
CAS Number:
1356066-65-3
Molecular Formula:
C12H14BFN2O2
Molecular Weight:
248.0612
MDL Number:
MFCD16995198
IUPAC Name:
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
InChI:
InChI=1S/C12H14BFN2O2/c1-11(2)12(3,4)18-13(17-11)8-5-9(14)10(6-15)16-7-8/h5,7H,1-4H3
InChI Key:
QCANCVFRTNPQIZ-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.064g/mol
Monoisotopic Mass:
248.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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