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Home > Boronic Acids > 1169459-44-2
1169459-44-2 | 2-Fluoro-6-(trifluoromethyl)pyridine-4-boronic acid pinacol ester
CAS No: 1169459-44-2 Catalog No: AG00HDRA MDL No:MFCD12923444
Product Description
Catalog Number:
AG00HDRA
Chemical Name:
2-Fluoro-6-(trifluoromethyl)pyridine-4-boronic acid pinacol ester
CAS Number:
1169459-44-2
Molecular Formula:
C12H14BF4NO2
Molecular Weight:
291.0497
MDL Number:
MFCD12923444
IUPAC Name:
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
InChI:
InChI=1S/C12H14BF4NO2/c1-10(2)11(3,4)20-13(19-10)7-5-8(12(15,16)17)18-9(14)6-7/h5-6H,1-4H3
InChI Key:
KHMFQIHEKLSQCH-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(n1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.053g/mol
Monoisotopic Mass:
291.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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