Chemical Name - Ethyl- Chloroformate
Mol Weight - 108.524
Smiles - CCOC(Cl)=O
InChI - RIFGWPKJUGCATF-UHFFFAOYSA-N
InChIKey - InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3
Mol Weight - 108.524
Smiles - CCOC(Cl)=O
InChI - RIFGWPKJUGCATF-UHFFFAOYSA-N
InChIKey - InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3
| Property Value | |
| Mol Name | Ethyl- Chloroformate |
| Molweight | 108.524 |
| Monoisotopic Mass | 107.997807 |
| Clogp | 1.2259 |
| Clogs | -1.721 |
| H Acceptors | 2 |
| Total Surface Area | 82.69 |
| Relative Psa | 0.27863 |
| Polar Surface Area | 26.3 |
| Druglikeness | -15.081 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.64652 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 3 |
| Smiles | CCOC(Cl)=O |
| InChIKey | InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3 |
| InChI | RIFGWPKJUGCATF-UHFFFAOYSA-N |
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1 - Ethyl- Chloroformate
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