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66635-36-7 | 1H-Isoindole-1,3(2H)-dione, 2,2'-(1,5-naphthalenediyl)bis[5-nitro-
CAS No: 66635-36-7 Catalog No: AG006JM6 MDL No:
Product Description
Catalog Number:
AG006JM6
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-(1,5-naphthalenediyl)bis[5-nitro-
CAS Number:
66635-36-7
Molecular Formula:
C26H12N4O8
Molecular Weight:
508.3955
IUPAC Name:
5-nitro-2-[5-(5-nitro-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
InChI:
InChI=1S/C26H12N4O8/c31-23-17-9-7-13(29(35)36)11-19(17)25(33)27(23)21-5-1-3-15-16(21)4-2-6-22(15)28-24(32)18-10-8-14(30(37)38)12-20(18)26(28)34/h1-12H
InChI Key:
AIPJNXMCDNKUTB-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1c1cccc2c1cccc2N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
1000
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.066g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
508.402g/mol
Monoisotopic Mass:
508.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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