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87317-06-4 | Benzenesulfonamide, N-(2-chloro-4-nitrophenyl)-3-nitro-
CAS No: 87317-06-4 Catalog No: AG004OPN MDL No:
Product Description
Catalog Number:
AG004OPN
Chemical Name:
Benzenesulfonamide, N-(2-chloro-4-nitrophenyl)-3-nitro-
CAS Number:
87317-06-4
Molecular Formula:
C12H8ClN3O6S
Molecular Weight:
357.7264
IUPAC Name:
N-(2-chloro-4-nitrophenyl)-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C12H8ClN3O6S/c13-11-7-9(16(19)20)4-5-12(11)14-23(21,22)10-3-1-2-8(6-10)15(17)18/h1-7,14H
InChI Key:
WJPLBDWKVUTVQM-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1NS(=O)(=O)c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.982g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.721g/mol
Monoisotopic Mass:
356.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Antifungal activities of N-arylbenzenesulfonamides against phytopathogens and control efficacy on wheat leaf rust and cabbage club root diseases. | Bioscience, biotechnology, and biochemistry 20021201 |
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