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66635-25-4 | 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-nitro-
CAS No: 66635-25-4 Catalog No: AG00H7WH MDL No:
Product Description
Catalog Number:
AG00H7WH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-nitro-
CAS Number:
66635-25-4
Molecular Formula:
C28H14N4O10S
Molecular Weight:
598.4966
IUPAC Name:
5-nitro-2-[4-[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]sulfonylphenyl]isoindole-1,3-dione
InChI:
InChI=1S/C28H14N4O10S/c33-25-21-11-5-17(31(37)38)13-23(21)27(35)29(25)15-1-7-19(8-2-15)43(41,42)20-9-3-16(4-10-20)30-26(34)22-12-6-18(32(39)40)14-24(22)28(30)36/h1-14H
InChI Key:
KLHBZPAMIPRQFQ-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.043g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
598.498g/mol
Monoisotopic Mass:
598.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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