Chem 23456 Pentafluoro Benzoic Acid Pacific

Compound 125
  CheckMol                        TMF02:r0:m0
MF=C7HF5O2 MW=212.08
 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
   -1.3041    0.7519   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3158    2.2557   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6081    0.0117   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0352    3.0193   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6199    3.0076   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6199   -1.4685   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9122    0.7636   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6316    4.5114   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9240    2.2674   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2163    0.0235   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2280    3.0193   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2398    4.5231   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5321    2.2909   -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
  6  9  1  0  0  0  0
  6 10 02  0  1  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  8 10 01  0  1  0  0
M  END

2,3,4,5,6 - Pentafluoro Benzoic Acid

₹ 0.00 0.00

Chemical Name - 2,3,4,5,6 - Pentafluoro Benzoic Acid
Mol Weight - 212.073
Smiles - OC(c(c(F)c(c(F)c1F)F)c1F)=O

Property Name	Property Value
Mol Name	2,3,4,5,6 - Pentafluoro Benzoic Acid
Molweight	212.073
Monoisotopic Mass	211.98967
Clogp	1.6487
Clogs	-3.199
H Acceptors	2
H Donors	1
Total Surface Area	129.11
Relative Psa	0.20246
Polar Surface Area	37.3
Druglikeness	-3.1842
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.3044
Molecular Complexity	0.71581
Fragments	1
Non H Atoms	14
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	4
Acidic Oxygens	1
Smiles	OC(c(c(F)c(c(F)c1F)F)c1F)=O
InChIKey	InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChI	YZERDTREOUSUHF-UHFFFAOYSA-N

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1 - 2,3,4,5,6 - Pentafluoro Benzoic Acid
2 - 2,3,4,5,6 - Pentafluoro Benzoic Acid

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2,3,4,5,6 - Pentafluoro Benzoic Acid