Chemical Name - Oxalyl Chloride
Mol Weight - 126.926
Smiles - O=C(C(Cl)=O)Cl
Mol Weight - 126.926
Smiles - O=C(C(Cl)=O)Cl
| Property Value | |
| Mol Name | Oxalyl Chloride |
| Molweight | 126.926 |
| Monoisotopic Mass | 125.927534 |
| Clogp | -0.8116 |
| Clogs | -0.086 |
| H Acceptors | 2 |
| Total Surface Area | 79.84 |
| Relative Psa | 0.32665 |
| Polar Surface Area | 34.14 |
| Druglikeness | -14.889 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.72949 |
| Molecular Complexity | 0.89588 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Symmetric Atoms | 3 |
| Smiles | O=C(C(Cl)=O)Cl |
| InChIKey | InChI=1S/C2Cl2O2/c3-1(5)2(4)6 |
| InChI | CTSLXHKWHWQRSH-UHFFFAOYSA-N |
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1 - Oxalyl Chloride
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