Chemical Name - 2-Chlorobenzaldehyde
Mol Weight - 140.569
Smiles - O=Cc(cccc1)c1Cl
Mol Weight - 140.569
Smiles - O=Cc(cccc1)c1Cl
| Property Value | |
| Mol Name | 2-Chlorobenzaldehyde |
| Molweight | 140.569 |
| Monoisotopic Mass | 140.002892 |
| Clogp | 2.1989 |
| Clogs | -2.676 |
| H Acceptors | 1 |
| Total Surface Area | 108.22 |
| Relative Psa | 0.1205 |
| Polar Surface Area | 17.07 |
| Druglikeness | -4.0334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.33178 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Smiles | O=Cc(cccc1)c1Cl |
| InChIKey | InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H |
| InChI | FPYUJUBAXZAQNL-UHFFFAOYSA-N |
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1 - 2-Chlorobenzaldehyde
2 - 2-Chlorobenzaldehyde
1 - 2-Chlorobenzaldehyde
2 - 2-Chlorobenzaldehyde
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