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Home > Nitro Compounds > 27594-94-1
27594-94-1 | Benzene, 1,1'-sulfonylbis[4-(4-nitrophenoxy)-
CAS No: 27594-94-1 Catalog No: AG002U76 MDL No:
Product Description
Catalog Number:
AG002U76
Chemical Name:
Benzene, 1,1'-sulfonylbis[4-(4-nitrophenoxy)-
CAS Number:
27594-94-1
Molecular Formula:
C24H16N2O8S
Molecular Weight:
492.4574
IUPAC Name:
1-nitro-4-[4-[4-(4-nitrophenoxy)phenyl]sulfonylphenoxy]benzene
InChI:
InChI=1S/C24H16N2O8S/c27-25(28)17-1-5-19(6-2-17)33-21-9-13-23(14-10-21)35(31,32)24-15-11-22(12-16-24)34-20-7-3-18(4-8-20)26(29)30/h1-16H
InChI Key:
VKUSKNXDPNRQGL-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.063g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.458g/mol
Monoisotopic Mass:
492.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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