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13909-07-4 | 1H-Isoindole-1,3(2H)-dione, 2-(2,2,2-trifluoroethyl)-
CAS No: 13909-07-4 Catalog No: AG001A8O MDL No:
Product Description
Catalog Number:
AG001A8O
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2,2,2-trifluoroethyl)-
CAS Number:
13909-07-4
Molecular Formula:
C10H6F3NO2
Molecular Weight:
229.1553
IUPAC Name:
2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
InChI:
InChI=1S/C10H6F3NO2/c11-10(12,13)5-14-8(15)6-3-1-2-4-7(6)9(14)16/h1-4H,5H2
InChI Key:
IMSVLACYLZOPOK-UHFFFAOYSA-N
SMILES:
FC(CN1C(=O)c2c(C1=O)cccc2)(F)F
NSC Number:
92152
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.158g/mol
Monoisotopic Mass:
229.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 2-(2,2,2-Trifluoro-eth-yl)isoindoline-1,3-dione. | Acta crystallographica. Section E, Structure reports online 20100701 |
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