Chem 2 Chloro 5 Iodobenzoic Acid

Compound 27
  CheckMol                        TMF02:r0:m0
MF=C7H4ClIO2 MW=282.46
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0117    1.5028   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3150    2.2542   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2680    2.2660   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3267    3.7570   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2563    3.7688   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5202   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6299    4.5084   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0587    6.0230   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417    6.0112   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9331    3.7805   -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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

2 Chloro-5-iodobenzoic acid

₹ 0.00 0.00

Chemical Name - 2 Chloro-5-iodobenzoic acid
Mol Weight - 282.46
Smiles - OC(c(cc(cc1)I)c1Cl)=O

Property Name	Property Value
Mol Name	2 Chloro-5-iodobenzoic acid
Molweight	282.46
Monoisotopic Mass	281.894455
Clogp	2.1878
Clogs	-3.381
H Acceptors	2
H Donors	1
Total Surface Area	139.06
Relative Psa	0.18798
Polar Surface Area	37.3
Druglikeness	-0.79737
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.73778
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Acidic Oxygens	1
Smiles	OC(c(cc(cc1)I)c1Cl)=O
InChIKey	InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI	GEBYSTBEDVQOTK-UHFFFAOYSA-N

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1 - 2 Chloro-5-iodobenzoic acid
2 - 2 Chloro-5-iodobenzoic acid

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2 Chloro-5-iodobenzoic acid