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Home > Indoles and Oxindole > 89024-39-5
89024-39-5 | 1H-Isoindole-1,3(2H)-dione, 2,2'-(1,3-propanediyl)bis[5-nitro-
CAS No: 89024-39-5 Catalog No: AG0044CB MDL No:
Product Description
Catalog Number:
AG0044CB
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-(1,3-propanediyl)bis[5-nitro-
CAS Number:
89024-39-5
Molecular Formula:
C19H12N4O8
Molecular Weight:
424.3206
IUPAC Name:
5-nitro-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C19H12N4O8/c24-16-12-4-2-10(22(28)29)8-14(12)18(26)20(16)6-1-7-21-17(25)13-5-3-11(23(30)31)9-15(13)19(21)27/h2-5,8-9H,1,6-7H2
InChI Key:
FQARTMRSMDPWEU-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1CCCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
781
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.066g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.325g/mol
Monoisotopic Mass:
424.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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