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66635-33-4 | 1H-Isoindole-1,3(2H)-dione, 2,2'-(1,4-phenylene)bis[5-nitro-
CAS No: 66635-33-4 Catalog No: AG00H7WG MDL No:
Product Description
Catalog Number:
AG00H7WG
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-(1,4-phenylene)bis[5-nitro-
CAS Number:
66635-33-4
Molecular Formula:
C22H10N4O8
Molecular Weight:
458.3368
IUPAC Name:
5-nitro-2-[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
InChI:
InChI=1S/C22H10N4O8/c27-19-15-7-5-13(25(31)32)9-17(15)21(29)23(19)11-1-2-12(4-3-11)24-20(28)16-8-6-14(26(33)34)10-18(16)22(24)30/h1-10H
InChI Key:
XZHXWQRXHOBMPZ-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
874
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.05g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.342g/mol
Monoisotopic Mass:
458.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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