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Home > Nitro Compounds > 870479-85-9
870479-85-9 | Benzene, 1,1'-[1,2-ethanediylbis(sulfonyl)]bis[3-nitro-
CAS No: 870479-85-9 Catalog No: AG004JWJ MDL No:
Product Description
Catalog Number:
AG004JWJ
Chemical Name:
Benzene, 1,1'-[1,2-ethanediylbis(sulfonyl)]bis[3-nitro-
CAS Number:
870479-85-9
Molecular Formula:
C14H12N2O8S2
Molecular Weight:
400.3837
IUPAC Name:
1-nitro-3-[2-(3-nitrophenyl)sulfonylethylsulfonyl]benzene
InChI:
InChI=1S/C14H12N2O8S2/c17-15(18)11-3-1-5-13(9-11)25(21,22)7-8-26(23,24)14-6-2-4-12(10-14)16(19)20/h1-6,9-10H,7-8H2
InChI Key:
DSSFGVXCXWWSNK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)CCS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.004g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.376g/mol
Monoisotopic Mass:
400.004g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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