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87316-96-9 | Benzenesulfonamide, N-(4-iodophenyl)-2-methyl-5-nitro-
CAS No: 87316-96-9 Catalog No: AG004LHN MDL No:
Product Description
Catalog Number:
AG004LHN
Chemical Name:
Benzenesulfonamide, N-(4-iodophenyl)-2-methyl-5-nitro-
CAS Number:
87316-96-9
Molecular Formula:
C13H11IN2O4S
Molecular Weight:
418.2069
IUPAC Name:
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
InChI:
InChI=1S/C13H11IN2O4S/c1-9-2-7-12(16(17)18)8-13(9)21(19,20)15-11-5-3-10(14)4-6-11/h2-8,15H,1H3
InChI Key:
MXCCNBVTNOJUHU-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.948g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.205g/mol
Monoisotopic Mass:
417.948g/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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