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Home > Fluorides > 168417-28-5
168417-28-5 | 1H-Isoindole-1,3(2H)-dione, 2-(2,3,4,5,6-pentafluorophenyl)-
CAS No: 168417-28-5 Catalog No: AG001Y1Y MDL No:
Product Description
Catalog Number:
AG001Y1Y
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2,3,4,5,6-pentafluorophenyl)-
CAS Number:
168417-28-5
Molecular Formula:
C14H4F5NO2
Molecular Weight:
313.1791
IUPAC Name:
2-(2,3,4,5,6-pentafluorophenyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H4F5NO2/c15-7-8(16)10(18)12(11(19)9(7)17)20-13(21)5-3-1-2-4-6(5)14(20)22/h1-4H
InChI Key:
AXQQMQSRMPOWDO-UHFFFAOYSA-N
SMILES:
O=C1N(C(=O)c2c1cccc2)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.016g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.183g/mol
Monoisotopic Mass:
313.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| A new polymorph of N-phenyl-phthalimide. | Acta crystallographica. Section E, Structure reports online 20090301 |
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