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Home > Boronic Acids > 1079402-39-3
1079402-39-3 | 2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 1079402-39-3 Catalog No: AG01BCLH MDL No:MFCD22494245
Product Description
Catalog Number:
AG01BCLH
Chemical Name:
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
1079402-39-3
Molecular Formula:
C14H17BF4O3
Molecular Weight:
320.0876
MDL Number:
MFCD22494245
IUPAC Name:
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H17BF4O3/c1-12(2)13(3,4)22-15(21-12)10-7-9(16)5-6-11(10)20-8-14(17,18)19/h5-7H,8H2,1-4H3
InChI Key:
OCWZJDZEQHSSMJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)OCC(F)(F)F
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.091g/mol
Monoisotopic Mass:
320.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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