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Home > Boronic Acids > 1004294-77-2
1004294-77-2 | 2,2,2-Trifluoroacetophenone-4-boronic acid pinacol ester
CAS No: 1004294-77-2 Catalog No: AG008UR3 MDL No:MFCD16628195
Product Description
Catalog Number:
AG008UR3
Chemical Name:
2,2,2-Trifluoroacetophenone-4-boronic acid pinacol ester
CAS Number:
1004294-77-2
Molecular Formula:
C14H16BF3O3
Molecular Weight:
300.0812
MDL Number:
MFCD16628195
IUPAC Name:
2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
InChI:
InChI=1S/C14H16BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-9(6-8-10)11(19)14(16,17)18/h5-8H,1-4H3
InChI Key:
PDKVUFXTFXPSGZ-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.084g/mol
Monoisotopic Mass:
300.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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