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Home > Fluorides > 142096-73-9
142096-73-9 | Ethanesulfonic acid, 2,2,2-trifluoro-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester
CAS No: 142096-73-9 Catalog No: AG001HS6 MDL No:
Product Description
Catalog Number:
AG001HS6
Chemical Name:
Ethanesulfonic acid, 2,2,2-trifluoro-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester
CAS Number:
142096-73-9
Molecular Formula:
C10H6F3NO5S
Molecular Weight:
309.2185
IUPAC Name:
(1,3-dioxoisoindol-2-yl) 2,2,2-trifluoroethanesulfonate
InChI:
InChI=1S/C10H6F3NO5S/c11-10(12,13)5-20(17,18)19-14-8(15)6-3-1-2-4-7(6)9(14)16/h1-4H,5H2
InChI Key:
LWDWESSAGLWTJC-UHFFFAOYSA-N
SMILES:
O=C1N(OS(=O)(=O)CC(F)(F)F)C(=O)c2c1cccc2
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.992g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.215g/mol
Monoisotopic Mass:
308.992g/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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