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Home > Boronic Acids > 1813554-41-4
1813554-41-4 | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-
CAS No: 1813554-41-4 Catalog No: AG01FFYL MDL No:
Product Description
Catalog Number:
AG01FFYL
Chemical Name:
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-
CAS Number:
1813554-41-4
Molecular Formula:
C20H22BF3O3
Molecular Weight:
378.1931
IUPAC Name:
4,4,5,5-tetramethyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C20H22BF3O3/c1-18(2)19(3,4)27-21(26-18)16-8-10-17(11-9-16)25-13-14-6-5-7-15(12-14)20(22,23)24/h5-12H,13H2,1-4H3
InChI Key:
PTNULFOLGVEJAS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)OCc1cccc(c1)C(F)(F)F
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.161g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.198g/mol
Monoisotopic Mass:
378.161g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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