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Home > Fluorides > 950578-85-5
950578-85-5 | N-(2,4,6-Trimethylphenyl) bis-trifluoromethane sulfonimide
CAS No: 950578-85-5 Catalog No: AG01F761 MDL No:MFCD18379788
Product Description
Catalog Number:
AG01F761
Chemical Name:
N-(2,4,6-Trimethylphenyl) bis-trifluoromethane sulfonimide
CAS Number:
950578-85-5
Molecular Formula:
C11H11F6NO4S2
Molecular Weight:
399.3298
MDL Number:
MFCD18379788
IUPAC Name:
1,1,1-trifluoro-N-(trifluoromethylsulfonyl)-N-(2,4,6-trimethylphenyl)methanesulfonamide
InChI:
InChI=1S/C11H11F6NO4S2/c1-6-4-7(2)9(8(3)5-6)18(23(19,20)10(12,13)14)24(21,22)11(15,16)17/h4-5H,1-3H3
InChI Key:
GWTKUYWJURXSDA-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)N(S(=O)(=O)C(F)(F)F)c1c(C)cc(cc1C)C)(F)F
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.003g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.322g/mol
Monoisotopic Mass:
399.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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