Chemical Name - 3-Iodobenzotrifluoride
Mol Weight - 272.003
Smiles - FC(c1cccc(I)c1)(F)F
Mol Weight - 272.003
Smiles - FC(c1cccc(I)c1)(F)F
| Property Value | |
| Mol Name | 3-Iodobenzotrifluoride |
| Molweight | 272.003 |
| Monoisotopic Mass | 271.930982 |
| Clogp | 2.945 |
| Clogs | -3.41 |
| Total Surface Area | 129 |
| Druglikeness | -7.96 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.47198 |
| Molecular Complexity | 0.63561 |
| 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 |
| Symmetric Atoms | 2 |
| Smiles | FC(c1cccc(I)c1)(F)F |
| InChIKey | InChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H |
| InChI | IGISPMBUGPHLBY-UHFFFAOYSA-N |
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1 - 3-Iodobenzotrifluoride
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1 - 3-Iodobenzotrifluoride
2 - 3-Iodobenzotrifluoride
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