Chemical Name - 2,2,2 – Trichloroethyl Chloroformate
Mol Weight - 211.859
Smiles - O=C(OCC(Cl)(Cl)Cl)Cl
Mol Weight - 211.859
Smiles - O=C(OCC(Cl)(Cl)Cl)Cl
| Property Value | |
| Mol Name | 2,2,2 – Trichloroethyl Chloroformate |
| Molweight | 211.859 |
| Monoisotopic Mass | 209.880888 |
| Clogp | 2.6704 |
| Clogs | -2.922 |
| H Acceptors | 2 |
| Total Surface Area | 127.1 |
| Relative Psa | 0.18127 |
| Polar Surface Area | 26.3 |
| Druglikeness | -17.163 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.70849 |
| Molecular Complexity | 0.44794 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 2 |
| Smiles | O=C(OCC(Cl)(Cl)Cl)Cl |
| InChIKey | InChI=1S/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2 |
| InChI | LJCZNYWLQZZIOS-UHFFFAOYSA-N |
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1 - 2,2,2 – Trichloroethyl Chloroformate
2 - 2,2,2 – Trichloroethyl Chloroformate
1 - 2,2,2 – Trichloroethyl Chloroformate
2 - 2,2,2 – Trichloroethyl Chloroformate
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