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Home > Indoles and Oxindole > 89024-42-0
89024-42-0 | 1H-Isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis[5-nitro-
CAS No: 89024-42-0 Catalog No: AG0044C9 MDL No:
Product Description
Catalog Number:
AG0044C9
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis[5-nitro-
CAS Number:
89024-42-0
Molecular Formula:
C18H10N4O8
Molecular Weight:
410.2940
IUPAC Name:
5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H10N4O8/c23-15-11-3-1-9(21(27)28)7-13(11)17(25)19(15)5-6-20-16(24)12-4-2-10(22(29)30)8-14(12)18(20)26/h1-4,7-8H,5-6H2
InChI Key:
GCSGEQLDPXQLHP-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1CCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.05g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.298g/mol
Monoisotopic Mass:
410.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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