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87316-93-6 | Benzenesulfonamide, N-(2-chlorophenyl)-2-methyl-5-nitro-
CAS No: 87316-93-6 Catalog No: AG004OPS MDL No:
Product Description
Catalog Number:
AG004OPS
Chemical Name:
Benzenesulfonamide, N-(2-chlorophenyl)-2-methyl-5-nitro-
CAS Number:
87316-93-6
Molecular Formula:
C13H11ClN2O4S
Molecular Weight:
326.7554
IUPAC Name:
N-(2-chlorophenyl)-2-methyl-5-nitrobenzenesulfonamide
InChI:
InChI=1S/C13H11ClN2O4S/c1-9-6-7-10(16(17)18)8-13(9)21(19,20)15-12-5-3-2-4-11(12)14/h2-8,15H,1H3
InChI Key:
SJDNLXWJIXEOCA-UHFFFAOYSA-N
SMILES:
Clc1ccccc1NS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.751g/mol
Monoisotopic Mass:
326.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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