Chemical Name - Iso Butyryl Chloride
Mol Weight - 106.552
Smiles - CC(C)C(Cl)=O
Mol Weight - 106.552
Smiles - CC(C)C(Cl)=O
| Property Value | |
| Mol Name | Iso Butyryl Chloride |
| Molweight | 106.552 |
| Monoisotopic Mass | 106.018542 |
| Clogp | 0.7555 |
| Clogs | -0.965 |
| H Acceptors | 1 |
| Total Surface Area | 83.69 |
| Relative Psa | 0.15581 |
| Polar Surface Area | 17.07 |
| Druglikeness | -12.543 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.63462 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)C(Cl)=O |
| InChIKey | InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3 |
| InChI | DGMOBVGABMBZSB-UHFFFAOYSA-N |
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