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- 1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene
1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene
PRICE INQUIRYCatalog Number
ACM405074819-1
Product Name
1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/405074-81-9.gif)
CAS
405074-81-9
Synonyms
ZINC100016086; ACMC-209jew; 405074-81-9; 2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane; alpha,alpha-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene; STL555982; AKOS017344810; (Pentafluorophenyl)bis(trifluoromesyl)methane; I14-100769; RLLDXJXYMKTGPV-UHFFFAOYSA-N;
IUPAC Name
1-[bis(trifluoromethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene;
Molecular Weight
446.205g/mol
Molecular Formula
C9HF11O4S2;
Canonical SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F;
InChI
InChI=1S/C9HF11O4S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(25(21,22)8(15,16)17)26(23,24)9(18,19)20/h7H;
InChI Key
RLLDXJXYMKTGPV-UHFFFAOYSA-N;
Complexity
657
Covalently-Bonded Unit Count
1
Exact Mass
445.914g/mol
H-Bond Acceptor
15
Heavy Atom Count
26
Monoisotopic Mass
445.914g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
85A^2
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