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Home > Indoles and Oxindole > 100823-00-5
100823-00-5 | 1H-Isoindole-1,3(2H)-dione, 2-[2,6-bis(1-methylethyl)phenyl]-5-nitro-
CAS No: 100823-00-5 Catalog No: AG0002YE MDL No:
Product Description
Catalog Number:
AG0002YE
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2,6-bis(1-methylethyl)phenyl]-5-nitro-
CAS Number:
100823-00-5
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
IUPAC Name:
2-[2,6-di(propan-2-yl)phenyl]-5-nitroisoindole-1,3-dione
InChI:
InChI=1S/C20H20N2O4/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22(25)26)10-17(16)20(21)24/h5-12H,1-4H3
InChI Key:
RLDVEPIZIKRKPK-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1c1c(cccc1C(C)C)C(C)C)[N+](=O)[O-]
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Inhibitors of NF-kappaB derived from thalidomide. | Bioorganic & medicinal chemistry letters 20071101 |
| Angiogenesis inhibitors derived from thalidomide. | Bioorganic & medicinal chemistry letters 20051215 |
| Tubulin-polymerization inhibitors derived from thalidomide. | Bioorganic & medicinal chemistry letters 20050117 |
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