Compound 136
  CheckMol                        TMF02:r0:m0
MF=C12H10INO3 MW=343.12
 17 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7540   -1.2842   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7540    1.3077   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2620   -1.2724   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0236   -2.5683   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118    2.6154   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2620    1.3195   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0160   -2.5565   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7893   -3.8525   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7776    3.9231   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0160    2.6272   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2856   -3.8407   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2856    3.9349   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.7125    0.0942   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048    0.8482   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3930    2.3562   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    0.1178   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  3  6 02  0  1  0  0
  3  7 01  0  1  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12 02  0  1  0  0
 10 13 02  0  1  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 12 01  0  1  0  0
 11 13 01  0  1  0  0
M  CHG  1   1   1
M  CHG  1  15   1
M  CHG  1  16  -1
M  CHG  1  17  -1
M  END

2D Structure

Diphenyliodonium nitrate

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Chemical Name - Diphenyliodonium nitrate
Mol Weight - 281.111
Smiles - [O-][N+]([O-])=O.c(cc1)ccc1[I+]c1ccccc1

Property Name	Property Value
Mol Name	Diphenyliodonium nitrate
Molweight	281.111
Monoisotopic Mass	280.982723
Clogp	3.3242
Clogs	-3.544
Total Surface Area	166.05
Druglikeness	-2.3575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.69231
Molecular Flexibility	0.42877
Molecular Complexity	0.35499
Fragments	2
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	8
Smiles	[O-][N+]([O-])=O.c(cc1)ccc1[I+]c1ccccc1
InChIKey	InChI=1S/C12H10I.NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;/q+1;-1
InChI	CQZCVYWWRJDZBO-UHFFFAOYSA-N

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1 — Diphenyliodonium nitrate | 2 — Diphenyliodonium nitrate