Chemical Name - 2-Chloropropionyl chloride
Mol Weight - 126.97
Smiles - CC(C(Cl)=O)Cl
Mol Weight - 126.97
Smiles - CC(C(Cl)=O)Cl
| Property Value | |
| Mol Name | 2-Chloropropionyl chloride |
| Molweight | 126.97 |
| Monoisotopic Mass | 125.963919 |
| Clogp | 0.7185 |
| Clogs | -1.132 |
| H Acceptors | 1 |
| Total Surface Area | 86.85 |
| Relative Psa | 0.15014 |
| Polar Surface Area | 17.07 |
| Druglikeness | -15.685 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.63462 |
| Molecular Complexity | 0.89588 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 2 |
| Smiles | CC(C(Cl)=O)Cl |
| InChIKey | InChI=1S/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3 |
| InChI | JEQDSBVHLKBEIZ-UHFFFAOYSA-N |
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1 - 2-Chloropropionyl chloride
2 - 2-Chloropropionyl chloride
1 - 2-Chloropropionyl chloride
2 - 2-Chloropropionyl chloride
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