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87317-03-1 | Benzenesulfonamide, N-(2-iodophenyl)-3-nitro-
CAS No: 87317-03-1 Catalog No: AG004OPP MDL No:
Product Description
Catalog Number:
AG004OPP
Chemical Name:
Benzenesulfonamide, N-(2-iodophenyl)-3-nitro-
CAS Number:
87317-03-1
Molecular Formula:
C12H9IN2O4S
Molecular Weight:
404.1803
IUPAC Name:
N-(2-iodophenyl)-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C12H9IN2O4S/c13-11-6-1-2-7-12(11)14-20(18,19)10-5-3-4-9(8-10)15(16)17/h1-8,14H
InChI Key:
AVCWTYMQGVYRRE-UHFFFAOYSA-N
SMILES:
Ic1ccccc1NS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.933g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.178g/mol
Monoisotopic Mass:
403.933g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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