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Home > Indoles and Oxindole > 95576-77-5
95576-77-5 | 1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-(4-nitrophenyl)-
CAS No: 95576-77-5 Catalog No: AG006CMF MDL No:
Product Description
Catalog Number:
AG006CMF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-(4-nitrophenyl)-
CAS Number:
95576-77-5
Molecular Formula:
C28H14N4O9
Molecular Weight:
550.4322
IUPAC Name:
2-(4-nitrophenyl)-5-[2-(4-nitrophenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
InChI:
InChI=1S/C28H14N4O9/c33-25-21-11-9-19(13-23(21)27(35)29(25)15-1-5-17(6-2-15)31(37)38)41-20-10-12-22-24(14-20)28(36)30(26(22)34)16-3-7-18(8-4-16)32(39)40/h1-14H
InChI Key:
VQQONKSLROYGOZ-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)[N+](=O)[O-])Oc1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.076g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.439g/mol
Monoisotopic Mass:
550.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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