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Home > Boronic Acids > 1084953-47-8
1084953-47-8 | 5-Trifluoromethylpyridine-3-boronic acid pinacol ester
CAS No: 1084953-47-8 Catalog No: AG008XFW MDL No:MFCD12198142
Product Description
Catalog Number:
AG008XFW
Chemical Name:
5-Trifluoromethylpyridine-3-boronic acid pinacol ester
CAS Number:
1084953-47-8
Molecular Formula:
C12H15BF3NO2
Molecular Weight:
273.0592
MDL Number:
MFCD12198142
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)9-5-8(6-17-7-9)12(14,15)16/h5-7H,1-4H3
InChI Key:
LFZDWNHGQKQVIG-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cncc(c1)C(F)(F)F
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.062g/mol
Monoisotopic Mass:
273.115g/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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