Chem 245 Trifluoro 3 Methoxy Benzoic Acid Pacific

Compound 126
  CheckMol                        TMF02:r0:m0
MF=C8H5F3O3 MW=206.13
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3038    0.7517   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3155    2.2552   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6076    0.0117   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0352    3.0187   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193    3.0070   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6193   -1.4682   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9114    0.7635   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5222   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311    4.5104   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9231    2.2670   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2269    3.0187   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2387    4.5222   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5307    2.2905   -0.0000 O   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  1  0  0  0  0
  4  8 02  0  1  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11 02  0  1  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  8 11 01  0  1  0  0
M  END

2,4,5 Trifluoro 3-Methoxy Benzoic Acid

₹ 0.00 0.00

Chemical Name - 2,4,5 Trifluoro 3-Methoxy Benzoic Acid
Mol Weight - 206.119
Smiles - COc(c(F)c(cc1F)C(O)=O)c1F

Property Name	Property Value
Mol Name	2,4,5 Trifluoro 3-Methoxy Benzoic Acid
Molweight	206.119
Monoisotopic Mass	206.019079
Clogp	1.3771
Clogs	-2.589
H Acceptors	3
H Donors	1
Total Surface Area	138.67
Relative Psa	0.26062
Polar Surface Area	46.53
Druglikeness	-2.937
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.38268
Molecular Complexity	0.74343
Fragments	1
Non H Atoms	14
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Acidic Oxygens	1
Smiles	COc(c(F)c(cc1F)C(O)=O)c1F
InChIKey	InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)
InChI	YVJHZWWMKFQKDC-UHFFFAOYSA-N

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2,4,5 Trifluoro 3-Methoxy Benzoic Acid