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Home > Fluorides > 102745-33-5
102745-33-5 | Methanesulfonic acid, 1,1,1-trifluoro-, phenylazanylidene ester
CAS No: 102745-33-5 Catalog No: AG00089J MDL No:
Product Description
Catalog Number:
AG00089J
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, phenylazanylidene ester
CAS Number:
102745-33-5
Molecular Formula:
C8H5F6NO6S2
Molecular Weight:
389.2488
IUPAC Name:
[N-(trifluoromethylsulfonyloxy)anilino] trifluoromethanesulfonate
InChI:
InChI=1S/C8H5F6NO6S2/c9-7(10,11)22(16,17)20-15(6-4-2-1-3-5-6)21-23(18,19)8(12,13)14/h1-5H
InChI Key:
RKPPSVOVGJVAGU-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)ON(c1ccccc1)OS(=O)(=O)C(F)(F)F)(F)F
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.946g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.239g/mol
Monoisotopic Mass:
388.946g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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