Chem 2 Iodo 4 Trifluoromethoxyaniline Infi

Compound 130
  CheckMol                        TMF02:r0:m0
MF=C7H5F3INO MW=303.03
 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
   -0.0118    1.5069   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2714    2.2603   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3185    2.2603   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5546    1.5186   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597    3.7672   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3303    3.7672   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5324   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6370    4.5206   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9438    3.7790   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139    2.4958   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2505    3.0491   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6972    5.0857   -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  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  6  8 02  0  1  0  0
  7  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-Iodo-4-trifluoromethoxyaniline

₹ 0.00 0.00

Chemical Name - 2-Iodo-4-trifluoromethoxyaniline
Mol Weight - 303.017
Smiles - Nc(ccc(OC(F)(F)F)c1)c1I

Property Name	Property Value
Mol Name	2-Iodo-4-trifluoromethoxyaniline
Molweight	303.017
Monoisotopic Mass	302.936796
Clogp	2.5184
Clogs	-3.731
H Acceptors	2
H Donors	1
Total Surface Area	147.52
Relative Psa	0.1713
Polar Surface Area	35.25
Druglikeness	-8.8757
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.51245
Molecular Complexity	0.6452
Fragments	1
Non H Atoms	13
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	2
Amines	1
Aromatic Amines	1
Smiles	Nc(ccc(OC(F)(F)F)c1)c1I
InChIKey	InChI=1S/C7H5F3INO/c8-7(9,10)13-4-1-2-6(12)5(11)3-4/h1-3H,12H2
InChI	QDKAGYKFJHVWBK-UHFFFAOYSA-N

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1 - 2-Iodo-4-trifluoromethoxyaniline
2 - 2-Iodo-4-trifluoromethoxyaniline

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2-Iodo-4-trifluoromethoxyaniline