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286845-22-5 | ETHANONE, 1-[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-2-[[4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL]SULFONYL]-
CAS No: 286845-22-5 Catalog No: AG002W2X MDL No:
Product Description
Catalog Number:
AG002W2X
Chemical Name:
ETHANONE, 1-[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-2-[[4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL]SULFONYL]-
CAS Number:
286845-22-5
Molecular Formula:
C20H19F3O7S
Molecular Weight:
460.4209
IUPAC Name:
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylethanone
InChI:
InChI=1S/C20H19F3O7S/c1-19(2)27-11-18(30-19)17(24)12-31(25,26)16-9-7-14(8-10-16)28-13-3-5-15(6-4-13)29-20(21,22)23/h3-10,18H,11-12H2,1-2H3/t18-/m1/s1
InChI Key:
DKYZMEBEWCKIJX-GOSISDBHSA-N
SMILES:
O=C([C@H]1COC(O1)(C)C)CS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
460.08g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.42g/mol
Monoisotopic Mass:
460.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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