Chemical Name - Methyl- Chloroformate
Mol Weight - 94.4968
Smiles - COC(Cl)=O
InChI - XMJHPCRAQCTCFT-UHFFFAOYSA-N
InChIKey - InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
Mol Weight - 94.4968
Smiles - COC(Cl)=O
InChI - XMJHPCRAQCTCFT-UHFFFAOYSA-N
InChIKey - InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
| Property Value | |
| Mol Name | Methyl- Chloroformate |
| Molweight | 94.4968 |
| Monoisotopic Mass | 93.982157 |
| Clogp | 0.8196 |
| Clogs | -1.421 |
| H Acceptors | 2 |
| Total Surface Area | 68.93 |
| Relative Psa | 0.33425 |
| Polar Surface Area | 26.3 |
| Druglikeness | -12.134 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.61655 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 2 |
| Smiles | COC(Cl)=O |
| InChIKey | InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3 |
| InChI | XMJHPCRAQCTCFT-UHFFFAOYSA-N |
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1 - Methyl- Chloroformate
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