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Home > Boronic Acids > 864754-45-0
864754-45-0 | 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-[[(trifluoromethyl)thio]methoxy]phenyl]-
CAS No: 864754-45-0 Catalog No: AG004WHM MDL No:
Product Description
Catalog Number:
AG004WHM
Chemical Name:
1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-[[(trifluoromethyl)thio]methoxy]phenyl]-
CAS Number:
864754-45-0
Molecular Formula:
C14H18BF3O3S
Molecular Weight:
334.1621
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-(trifluoromethylsulfanylmethoxy)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H18BF3O3S/c1-12(2)13(3,4)21-15(20-12)10-6-5-7-11(8-10)19-9-22-14(16,17)18/h5-8H,9H2,1-4H3
InChI Key:
FNIHKVOSMCYOCS-UHFFFAOYSA-N
SMILES:
FC(SCOc1cccc(c1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.16g/mol
Monoisotopic Mass:
334.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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