Chem 2 Methyl 4 Trifluoromethoxyiodobenzene Infi

Compound 129
  CheckMol                        TMF02:r0:m0
MF=C8H6F3IO MW=302.04
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3050    0.7642   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6100    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3168    2.2691   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9150    0.7877   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6218   -1.4461   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218    3.0333   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9268    2.2926   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2318    3.0450   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5368    2.3043   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8079    1.0228   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8418    1.5754   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2892    3.6094   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2-Methyl-4-(trifluoromethoxy)Iodobenzene

₹ 0.00 0.00

Chemical Name - 2-Methyl-4-(trifluoromethoxy)Iodobenzene
Mol Weight - 302.029
Smiles - Cc(cc(cc1)OC(F)(F)F)c1I

Property Name	Property Value
Mol Name	2-Methyl-4-(trifluoromethoxy)Iodobenzene
Molweight	302.029
Monoisotopic Mass	301.941547
Clogp	3.5396
Clogs	-3.999
H Acceptors	1
Total Surface Area	151.26
Relative Psa	0.066111
Polar Surface Area	9.23
Druglikeness	-9.1705
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.51245
Molecular Complexity	0.62294
Fragments	1
Non H Atoms	13
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	2
Smiles	Cc(cc(cc1)OC(F)(F)F)c1I
InChIKey	InChI=1S/C8H6F3IO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,1H3
InChI	YLCOLVIMVHKUKE-UHFFFAOYSA-N

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1 - 2-Methyl-4-(trifluoromethoxy)Iodobenzene
2 - 2-Methyl-4-(trifluoromethoxy)Iodobenzene

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2-Methyl-4-(trifluoromethoxy)Iodobenzene