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Chem 2 Chloro 5 Iodobenzoic Acid | Cheminformatics

2 Chloro-5-iodobenzoic acid


  • SKU Code: CH137254
Chemical Name - 2 Chloro-5-iodobenzoic acid
Mol Weight - 282.46
Smiles - OC(c(cc(cc1)I)c1Cl)=O
Property Name Property Value
Mol Name2 Chloro-5-iodobenzoic acid
Molweight282.46
Monoisotopic Mass281.894455
Clogp2.1878
Clogs-3.381
H Acceptors2
H Donors1
Total Surface Area139.06
Relative Psa0.18798
Polar Surface Area37.3
Druglikeness-0.79737
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.54545
Molecular Flexibility0.35822
Molecular Complexity0.73778
Fragments1
Non H Atoms11
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Acidic Oxygens1
SmilesOC(c(cc(cc1)I)c1Cl)=O
InChIKeyInChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIGEBYSTBEDVQOTK-UHFFFAOYSA-N

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