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Home > Nitro Compounds > 29420-81-3
29420-81-3 | Benzenesulfonamide, N,N'-(4,5-dinitro-1,2-phenylene)bis[4-methyl-
CAS No: 29420-81-3 Catalog No: AG002YCL MDL No:
Product Description
Catalog Number:
AG002YCL
Chemical Name:
Benzenesulfonamide, N,N'-(4,5-dinitro-1,2-phenylene)bis[4-methyl-
CAS Number:
29420-81-3
Molecular Formula:
C20H18N4O8S2
Molecular Weight:
506.5089
IUPAC Name:
4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-4,5-dinitrophenyl]benzenesulfonamide
InChI:
InChI=1S/C20H18N4O8S2/c1-13-3-7-15(8-4-13)33(29,30)21-17-11-19(23(25)26)20(24(27)28)12-18(17)22-34(31,32)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3
InChI Key:
LWLWGGMLEORAOM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc([N+](=O)[O-])c(cc1NS(=O)(=O)c1ccc(cc1)C)[N+](=O)[O-]
Properties
Complexity:
857
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.057g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
506.504g/mol
Monoisotopic Mass:
506.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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