Chemical Name - Pivaloyl Chloride
Mol Weight - 120.578
Smiles - CC(C)(C)C(Cl)=O
Mol Weight - 120.578
Smiles - CC(C)(C)C(Cl)=O
| Property Value | |
| Mol Name | Pivaloyl Chloride |
| Molweight | 120.578 |
| Monoisotopic Mass | 120.034192 |
| Clogp | 1.3213 |
| Clogs | -1.142 |
| H Acceptors | 1 |
| Total Surface Area | 93.86 |
| Relative Psa | 0.13893 |
| Polar Surface Area | 17.07 |
| Druglikeness | -16.651 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.77353 |
| Molecular Complexity | 0.53648 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)C(Cl)=O |
| InChIKey | InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3 |
| InChI | JVSFQJZRHXAUGT-UHFFFAOYSA-N |
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1 - Pivaloyl Chloride
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