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Home > Nitro Compounds > 88088-99-7
88088-99-7 | Dibenzofuran, 2,8-bis[[(4-nitrophenyl)methyl]sulfonyl]-
CAS No: 88088-99-7 Catalog No: AG004K0N MDL No:
Product Description
Catalog Number:
AG004K0N
Chemical Name:
Dibenzofuran, 2,8-bis[[(4-nitrophenyl)methyl]sulfonyl]-
CAS Number:
88088-99-7
Molecular Formula:
C26H18N2O9S2
Molecular Weight:
566.5591
IUPAC Name:
2,8-bis[(4-nitrophenyl)methylsulfonyl]dibenzofuran
InChI:
InChI=1S/C26H18N2O9S2/c29-27(30)19-5-1-17(2-6-19)15-38(33,34)21-9-11-25-23(13-21)24-14-22(10-12-26(24)37-25)39(35,36)16-18-3-7-20(8-4-18)28(31)32/h1-14H,15-16H2
InChI Key:
PIRIZHUBLXDXCE-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc2c(c1)c1cc(ccc1o2)S(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
566.045g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
566.555g/mol
Monoisotopic Mass:
566.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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