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Home > Boronic Acids > 2088974-50-7
2088974-50-7 | 4,4,5,5-tetramethyl-2-[4-(pentafluoroethyl)phenyl]-1,3,2-dioxaborolane
CAS No: 2088974-50-7 Catalog No: AG01EL4X MDL No:MFCD31559072
Product Description
Catalog Number:
AG01EL4X
Chemical Name:
4,4,5,5-tetramethyl-2-[4-(pentafluoroethyl)phenyl]-1,3,2-dioxaborolane
CAS Number:
2088974-50-7
Molecular Formula:
C14H16BF5O2
Molecular Weight:
322.0787
MDL Number:
MFCD31559072
IUPAC Name:
4,4,5,5-tetramethyl-2-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H16BF5O2/c1-11(2)12(3,4)22-15(21-11)10-7-5-9(6-8-10)13(16,17)14(18,19)20/h5-8H,1-4H3
InChI Key:
DVVCYFRDZZORQX-UHFFFAOYSA-N
SMILES:
FC(C(F)(F)F)(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.082g/mol
Monoisotopic Mass:
322.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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