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145100-50-1 | Methanesulfonamide, 1,1,1-trifluoro-N-2-pyridinyl-N-[(trifluoromethyl)sulfonyl]-
CAS No: 145100-50-1 Catalog No: AG001KK0 MDL No:MFCD00191834
Product Description
Catalog Number:
AG001KK0
Chemical Name:
Methanesulfonamide, 1,1,1-trifluoro-N-2-pyridinyl-N-[(trifluoromethyl)sulfonyl]-
CAS Number:
145100-50-1
Molecular Formula:
C7H4F6N2O4S2
Molecular Weight:
358.2381
MDL Number:
MFCD00191834
IUPAC Name:
1,1,1-trifluoro-N-pyridin-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide
InChI:
InChI=1S/C7H4F6N2O4S2/c8-6(9,10)20(16,17)15(5-3-1-2-4-14-5)21(18,19)7(11,12)13/h1-4H
InChI Key:
DXLQEJHUQKKSRB-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)N(S(=O)(=O)C(F)(F)F)c1ccccn1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.952g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.229g/mol
Monoisotopic Mass:
357.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Quaternary salts containing the pentafluorosulfanyl (SF5) group. | Inorganic chemistry 20030922 |
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