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Home > Fluorides > 142096-70-6
142096-70-6 | Benzenesulfonic acid, 2,3,4,5,6-pentafluoro-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester
CAS No: 142096-70-6 Catalog No: AG001HS7 MDL No:
Product Description
Catalog Number:
AG001HS7
Chemical Name:
Benzenesulfonic acid, 2,3,4,5,6-pentafluoro-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester
CAS Number:
142096-70-6
Molecular Formula:
C14H4F5NO5S
Molecular Weight:
393.2423
IUPAC Name:
(1,3-dioxoisoindol-2-yl) 2,3,4,5,6-pentafluorobenzenesulfonate
InChI:
InChI=1S/C14H4F5NO5S/c15-7-8(16)10(18)12(11(19)9(7)17)26(23,24)25-20-13(21)5-3-1-2-4-6(5)14(20)22/h1-4H
InChI Key:
BSILUFBEYNTQLO-UHFFFAOYSA-N
SMILES:
O=C1N(OS(=O)(=O)c2c(F)c(F)c(c(c2F)F)F)C(=O)c2c1cccc2
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.973g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.24g/mol
Monoisotopic Mass:
392.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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